data_1sa8_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 1sa8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.01 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 25.3 p -99.83 126.08 45.88 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.316 0.558 . . . . 0.0 110.304 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -127.49 100.35 5.98 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.454 ' CG ' ' HB2' ' A' ' 11' ' ' LEU . 1.7 tppp? -168.04 168.74 11.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.454 0.645 . . . . 0.0 111.521 -176.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 9' ' ' GLY . 96.0 t -100.17 143.03 14.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.18 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.424 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -49.32 134.71 23.94 Favored Glycine 0 C--N 1.333 0.376 0 O-C-N 123.323 0.389 . . . . 0.0 113.415 -174.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.54 -35.56 4.96 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 28' ' ' SER . 22.8 mt -110.24 168.91 9.09 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 175.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HG2' ' HB2' ' A' ' 27' ' ' SER . 54.8 pttt -142.67 147.95 36.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.719 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 3.3 tt -152.83 137.56 16.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -148.6 126.74 12.1 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.038 0.447 . . . . 0.0 110.293 -172.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mp -108.52 148.17 12.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.7 m -155.72 146.89 22.52 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -142.53 125.69 16.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.406 0.622 . . . . 0.0 111.906 -176.174 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -94.08 87.74 5.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.342 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.95 -107.44 2.29 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -169.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.663 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 3.3 m120 -119.91 95.67 4.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 168.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.811 ' HD2' ' HG2' ' A' ' 38' ' ' GLU . 24.6 mmmt -167.7 103.84 0.5 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -104.12 122.17 44.75 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.684 -0.807 . . . . 0.0 111.431 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 15.2 t -113.86 138.99 49.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.304 176.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 82.3 t -117.53 127.76 74.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.147 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.719 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 83.1 tttt -101.93 107.23 18.32 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 4.8 tp10 -110.83 118.57 36.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.832 0.349 . . . . 0.0 111.753 -174.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB2' ' HG2' ' A' ' 12' ' ' LYS . 4.3 m -124.08 115.58 21.4 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 169.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.618 ' HA ' HD23 ' A' ' 11' ' ' LEU . 70.9 m -153.09 142.4 21.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.979 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.8 t30 67.23 -72.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.944 0.778 . . . . 0.0 111.718 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -171.75 47.66 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.006 0.431 . . . . 0.0 110.703 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.403 ' HG2' HH11 ' A' ' 31' ' ' ARG . 0.0 OUTLIER -166.08 132.82 2.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.876 174.608 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.473 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 11.3 t30 -109.21 125.54 52.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.625 176.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 tp -146.26 135.92 17.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.722 -175.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.57 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 2.8 m-20 -104.66 141.1 37.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.098 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.7 t -127.98 117.98 47.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 13.9 p -104.79 139.75 24.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.777 0.322 . . . . 0.0 110.401 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.514 ' HE2' HG23 ' A' ' 24' ' ' VAL . 28.5 p90 -151.36 145.95 25.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.267 0.556 . . . . 0.0 111.054 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.811 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 26.1 mt-10 -103.76 144.15 31.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 39' ' ' LEU . 7.0 mp -63.02 112.27 2.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.116 0.484 . . . . 0.0 111.488 -173.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.57 37.59 34.8 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.758 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.0 t -126.32 145.62 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.709 0.29 . . . . 0.0 110.533 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.581 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.8 p30 -101.78 138.64 38.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.167 -178.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -157.97 149.94 21.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.135 -173.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -113.97 142.0 46.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.799 178.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.487 ' CE1' ' HG ' ' A' ' 47' ' ' LEU . 45.7 p90 -157.86 149.77 21.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.866 0.365 . . . . 0.0 110.819 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.1 t -105.3 126.2 51.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.576 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.571 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 36.8 mt -104.8 124.11 48.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.458 177.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.65 34.52 23.43 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.877 0.736 . . . . 0.0 111.565 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.3 t70 50.38 49.97 19.65 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.335 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.67 -56.0 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.938 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.571 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 58.3 p -90.38 114.35 26.44 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 122.219 -0.577 . . . . 0.0 109.742 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -110.42 95.44 5.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 9.0 mp -103.84 123.96 48.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.367 -173.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 15.9 m -106.0 117.13 33.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 67' ' ' LYS . . . -167.33 165.66 38.76 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 119.179 -1.486 . . . . 0.0 114.065 -177.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.581 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 9.9 t -104.31 138.53 40.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.261 176.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.753 ' HE1' HD23 ' A' ' 64' ' ' LEU . 23.5 t-105 -117.82 126.08 51.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.623 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.5 p -114.58 135.12 54.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.3 ttt -117.08 124.43 49.22 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.583 0.706 . . . . 0.0 110.951 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -101.19 153.82 19.28 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 165.528 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -36.67 -36.79 0.18 Allowed Glycine 0 N--CA 1.463 0.454 0 O-C-N 123.89 0.744 . . . . 0.0 114.289 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -138.4 36.53 2.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.944 0.402 . . . . 0.0 110.613 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 30.5 mmmt -143.81 123.54 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.753 HD23 ' HE1' ' A' ' 57' ' ' TRP . 86.0 mt -113.16 113.01 24.76 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.2 t -139.56 138.03 39.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.249 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.62 -158.02 8.91 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.159 -1.02 . . . . 0.0 112.188 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.46 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 45.0 tttp -165.63 123.49 1.54 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.439 ' CE1' ' HE3' ' A' ' 57' ' ' TRP . 42.8 m-85 -132.03 144.42 50.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.213 0.53 . . . . 0.0 111.035 -175.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 77.8 tttt -110.76 123.64 50.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.309 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 51' ' ' THR . 6.8 ttt180 -118.48 100.41 7.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.5 m -62.03 -33.01 56.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -79.38 40.8 0.44 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -171.38 -62.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.467 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.441 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . -167.08 34.05 0.21 Allowed Glycine 0 CA--C 1.509 -0.333 0 C-N-CA 120.14 -1.028 . . . . 0.0 112.364 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.4 pttp 43.02 21.39 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.488 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 23.3 mt-10 -164.81 104.3 0.8 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.704 0.684 . . . . 0.0 111.919 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 64.0 tp -134.64 119.58 18.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.836 169.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.459 HG12 ' HA ' ' A' ' 67' ' ' LYS . 71.9 mt -123.52 139.02 51.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.491 -171.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.583 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -110.3 125.9 53.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.2 t -140.53 131.75 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.922 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 16.5 tpt180 -166.08 144.78 5.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -104.63 162.46 13.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.682 172.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.6 mm -102.28 121.83 53.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.64 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -114.03 120.44 40.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.396 0.141 . . . . 0.0 110.813 -179.427 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.43 -130.47 51.04 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -112.6 95.04 5.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.196 167.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.64 ' HG2' ' O ' ' A' ' 84' ' ' SER . 22.4 pt-20 -170.29 165.64 8.87 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.446 175.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.5 tp -139.39 127.53 22.49 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.653 170.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.718 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 30.9 mm -105.22 162.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 172.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.4 tp-100 -142.81 115.27 8.51 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.199 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.583 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -108.58 124.8 51.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -177.028 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -104.36 110.39 22.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 171.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.4 m -103.04 115.4 30.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.088 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.488 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 41.4 t80 -120.46 124.65 45.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.995 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 66.77 -69.4 0.13 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.013 0.82 . . . . 0.0 111.063 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.93 32.76 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.84 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 15.7 t -129.81 131.01 66.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -104.75 123.52 47.79 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.672 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.51 132.5 54.35 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 22.5 pttp -140.77 137.33 33.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.263 0.554 . . . . 0.0 111.864 -173.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.416 ' O ' HG21 ' A' ' 89' ' ' ILE . 45.3 ttt85 -104.85 146.86 28.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.129 174.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 102' ' ' ILE . 3.0 mp -103.17 129.65 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.912 -173.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -135.38 165.84 24.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -141.21 159.45 42.19 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.081 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -56.9 134.66 55.64 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.383 179.512 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.931 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.498 HG21 ' OG1' ' A' ' 14' ' ' THR . 57.0 p -101.68 128.51 47.95 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.452 ' HA ' ' H ' ' A' ' 106' ' ' GLU . 7.9 m0 -131.38 100.75 5.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.812 ' HE2' HD11 ' A' ' 11' ' ' LEU . 13.0 tptm -168.49 166.99 11.97 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.626 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' HD13 ' A' ' 11' ' ' LEU . 39.7 t -111.63 120.1 61.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.91 -124.35 36.39 Favored Glycine 0 CA--C 1.518 0.227 0 CA-C-N 115.794 -0.639 . . . . 0.0 114.626 168.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.07 -19.74 66.23 Favored Glycine 0 N--CA 1.454 -0.16 0 CA-C-N 115.1 -0.55 . . . . 0.0 114.037 -172.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.812 HD11 ' HE2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -102.6 149.1 24.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 117.064 0.432 . . . . 0.0 110.039 177.754 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -130.66 154.95 47.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.885 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.566 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 1.5 tt -156.16 134.86 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -175.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.498 ' OG1' HG21 ' A' ' 5' ' ' THR . 11.3 m -142.72 128.07 18.84 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.505 ' HA ' ' O ' ' A' ' 23' ' ' THR . 47.0 mt -116.13 104.83 17.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -106.1 148.11 28.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.507 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -148.82 133.81 18.13 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.136 0.493 . . . . 0.0 111.487 179.149 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -108.09 93.04 4.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.219 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.63 -101.0 1.13 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.118 -171.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.407 HD21 ' HA ' ' A' ' 20' ' ' ASN . 3.3 m120 -123.77 94.51 4.26 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.568 0.699 . . . . 0.0 109.251 170.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 24.8 ttmm -171.7 103.2 0.19 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 174.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -104.34 134.42 47.59 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.255 0.55 . . . . 0.0 111.381 -173.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.626 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.2 t -128.43 130.18 47.24 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.576 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.907 ' HB ' HG12 ' A' ' 35' ' ' VAL . 72.2 t -106.95 132.65 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 56.3 tttp -101.46 111.03 23.14 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.81 143.51 32.72 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.1 -177.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.2 m -155.16 132.17 10.83 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.65 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.6 m -160.26 121.94 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.576 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 m120 65.02 -68.79 0.1 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -162.75 56.68 0.21 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.169 0.509 . . . . 0.0 111.565 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.17 144.27 8.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 172.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -132.39 126.54 33.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.138 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.0 tt -153.49 141.54 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.895 0.379 . . . . 0.0 111.795 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.68 141.65 36.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.177 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.907 HG12 ' HB ' ' A' ' 24' ' ' VAL . 8.4 p -108.75 130.3 61.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 p -120.58 134.43 64.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.653 -177.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.591 ' HE2' HG11 ' A' ' 35' ' ' VAL . 17.4 p90 -161.0 142.48 11.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.405 0.622 . . . . 0.0 111.495 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -104.11 148.15 26.6 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.468 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.61 119.94 9.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -174.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.58 38.15 28.93 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.684 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 56' ' ' THR . 97.2 t -124.98 133.76 68.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.861 0.362 . . . . 0.0 110.528 178.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -103.8 130.5 51.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -157.16 159.53 37.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.818 0.342 . . . . 0.0 111.38 -172.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -103.86 136.11 44.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.455 175.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -146.33 131.88 18.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.081 0.467 . . . . 0.0 110.825 -174.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.7 t -102.83 123.27 46.17 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.665 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 5.5 mp -108.71 124.09 50.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.379 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.29 33.61 18.68 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.919 0.762 . . . . 0.0 111.569 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 52.34 39.73 27.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.085 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.99 -69.79 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.589 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.665 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 30.7 p -73.27 126.37 29.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.013 0.406 . . . . 0.0 110.121 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -119.08 90.87 3.42 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.59 124.21 48.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.109 -174.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 4.2 m -112.85 110.57 20.76 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.562 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.34 166.36 38.8 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 118.894 -1.622 . . . . 0.0 114.166 -172.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 9.3 t -105.06 144.23 32.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.193 -0.503 . . . . 0.0 110.336 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.445 ' HE3' ' CE1' ' A' ' 68' ' ' PHE . 42.5 t-105 -125.57 138.12 53.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.372 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.5 p -136.46 131.85 34.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.715 0.293 . . . . 0.0 110.898 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 26.8 ttt -115.69 107.0 14.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 173.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -103.66 104.48 14.53 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.65 -121.96 11.55 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.105 -171.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -108.44 43.89 1.18 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.202 0.525 . . . . 0.0 109.815 174.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 59' ' ' MET . 4.7 mptp? -126.02 124.36 40.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.589 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.429 ' C ' HG22 ' A' ' 65' ' ' VAL . 50.0 mt -110.64 105.75 14.76 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.051 -177.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.429 HG22 ' C ' ' A' ' 64' ' ' LEU . 26.1 t -141.31 140.88 31.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.374 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.51 -150.13 6.95 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.418 ' HA ' HG21 ' A' ' 78' ' ' ILE . 23.9 ttmm -163.96 124.64 2.19 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.562 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 10.1 m-85 -123.5 141.96 51.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.071 0.462 . . . . 0.0 110.273 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -103.13 107.08 17.75 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.154 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.497 ' NE ' ' HA ' ' A' ' 51' ' ' THR . 13.7 tpt180 -86.09 75.41 9.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.505 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -61.22 -35.33 65.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.419 -175.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.61 -43.59 80.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.743 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.67 -44.46 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.574 -175.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.1 -77.3 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.197 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -168.29 -26.68 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.51 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 35.1 mt-10 -149.59 117.87 6.43 Favored 'General case' 0 CA--C 1.508 -0.659 0 O-C-N 121.58 -0.7 . . . . 0.0 111.605 -175.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 62.1 tp -128.67 104.62 7.75 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.418 HG21 ' HA ' ' A' ' 67' ' ' LYS . 14.6 mt -114.29 149.14 16.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.842 -169.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.557 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -124.85 119.48 28.97 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 173.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.4 t -136.06 124.29 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.407 -175.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 12.8 tpt180 -166.01 154.43 10.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.026 0.441 . . . . 0.0 111.67 177.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -109.74 163.09 13.83 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.394 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.9 mm -101.11 124.98 55.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -114.64 128.08 56.12 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.66 -114.22 5.4 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -175.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.36 93.39 2.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.384 1.088 . . . . 0.0 109.928 162.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -170.53 141.48 1.93 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 113.846 -1.524 . . . . 0.0 107.975 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.2 tp -112.71 125.09 53.93 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.213 0.53 . . . . 0.0 111.096 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.614 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.2 mp -104.28 147.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 170.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.471 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 3.6 tp-100 -130.79 118.4 20.77 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.663 -176.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -105.11 126.23 51.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.642 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.59 110.97 23.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.553 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.573 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 6.8 m -105.28 104.43 14.16 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.323 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.51 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 19.3 t80 -104.65 115.84 31.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.745 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 65.6 -62.77 0.22 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.009 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.73 35.34 0.25 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.565 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' A' ' 93' ' ' THR . 18.8 m -141.96 140.01 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -122.61 142.11 51.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.395 0.617 . . . . 0.0 111.56 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.76 129.05 19.92 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 58.7 pttt -122.09 140.43 52.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.217 0.532 . . . . 0.0 111.974 -172.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -116.8 140.37 49.51 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 66.1 mt -102.3 126.19 56.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.077 0.465 . . . . 0.0 111.45 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.5 166.32 17.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.448 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.27 165.32 23.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.413 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.26 127.91 33.53 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.452 ' H ' ' HA ' ' A' ' 6' ' ' TRP . 6.0 tp10 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.769 -0.634 . . . . 0.0 110.101 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.83 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.445 ' C ' ' HD1' ' A' ' 6' ' ' TRP . 61.2 p -100.95 124.6 46.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.01 0.434 . . . . 0.0 110.055 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.445 ' HD1' ' C ' ' A' ' 5' ' ' THR . 5.9 m0 -127.18 103.91 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -176.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.583 ' HE2' HD12 ' A' ' 11' ' ' LEU . 14.3 tptm -166.95 169.65 12.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.286 0.565 . . . . 0.0 112.433 -175.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -100.24 145.67 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.242 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.86 135.24 15.74 Favored Glycine 0 C--N 1.334 0.437 0 O-C-N 123.582 0.551 . . . . 0.0 113.709 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.37 -36.92 3.88 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -175.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.583 HD12 ' HE2' ' A' ' 7' ' ' LYS . 12.5 mt -105.6 164.3 12.01 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -140.08 148.88 42.39 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.663 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 3.4 tt -153.97 132.4 12.04 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.469 ' N ' HD23 ' A' ' 13' ' ' LEU . 5.7 m -140.19 126.96 20.53 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -175.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 23' ' ' THR . 59.4 mt -117.81 121.11 66.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -122.7 144.18 49.31 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.12 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.725 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -144.03 137.62 27.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.932 0.396 . . . . 0.0 111.722 179.388 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -85.44 -134.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.29 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.04 94.84 Favored Glycine 0 C--N 1.335 0.498 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 171.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -163.17 96.67 0.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.128 -1.036 . . . . 0.0 108.378 167.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.725 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 25.8 mttp -169.89 105.55 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.482 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CD1' HD11 ' A' ' 39' ' ' LEU . 3.9 m-85 -104.22 135.37 45.81 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.465 -175.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 15.0 t -135.2 137.65 42.85 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.506 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 97.8 t -119.48 127.4 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.183 -176.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.663 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 87.5 tttt -102.24 111.44 23.72 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.413 ' C ' ' HG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -104.0 141.43 36.2 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.418 -176.427 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 38.9 m -158.3 114.2 2.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 176.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.583 ' HA ' HD22 ' A' ' 11' ' ' LEU . 39.8 m -151.48 115.07 4.86 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.43 -176.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m120 67.11 -54.46 0.46 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.051 0.94 . . . . 0.0 112.593 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.03 49.36 0.4 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.448 0.642 . . . . 0.0 109.331 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 27' ' ' SER . 3.5 mtp180 -140.05 142.51 36.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.611 -172.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -156.32 103.36 2.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.365 -0.834 . . . . 0.0 108.824 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.451 HG22 HD13 ' A' ' 33' ' ' ILE . 4.3 tt -161.14 139.14 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.369 -171.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.457 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 2.8 m-20 -109.8 141.63 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.5 t -116.11 117.72 56.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 p -111.94 134.66 53.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.628 0.252 . . . . 0.0 110.556 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -159.96 145.44 15.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.394 0.616 . . . . 0.0 111.392 -173.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.729 ' H ' ' HZ ' ' A' ' 43' ' ' PHE . 55.3 mt-10 -104.43 144.06 32.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.293 175.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.3 mp -59.86 125.41 23.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.363 -173.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.09 38.59 54.93 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.982 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.4 t -131.38 148.88 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.44 136.02 43.02 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.729 ' HZ ' ' H ' ' A' ' 38' ' ' GLU . 35.1 m-85 -131.24 149.03 52.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -139.7 107.68 5.71 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -158.54 168.37 27.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.049 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.511 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 15.0 t -99.95 123.07 43.8 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.709 0.766 . . . . 0.0 110.268 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.418 HD21 HD11 ' A' ' 33' ' ' ILE . 81.2 mt -103.79 137.91 41.13 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.047 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.87 30.47 15.94 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.596 0.56 . . . . 0.0 111.608 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 54.59 44.16 29.1 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.844 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.13 -57.51 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.295 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.481 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 44.6 p -74.33 116.3 14.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.125 0.462 . . . . 0.0 109.858 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.511 ' HG2' ' HB2' ' A' ' 46' ' ' SER . 90.9 mt-10 -106.26 97.93 7.67 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.544 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 10.7 mp -104.3 129.11 52.17 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.84 -171.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 10.2 m -111.27 111.35 22.35 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 171.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.573 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -167.19 165.23 38.46 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.429 -1.367 . . . . 0.0 113.552 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.8 t -110.28 144.66 38.65 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.512 -0.344 . . . . 0.0 110.484 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.505 ' CE3' ' HA3' ' A' ' 66' ' ' GLY . 29.8 t-105 -114.02 136.22 53.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.768 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.4 p -138.2 135.49 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.642 0.258 . . . . 0.0 110.514 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.454 ' HE1' ' O ' ' A' ' 61' ' ' GLY . 25.1 ttt -107.43 113.41 26.74 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -103.53 104.67 14.76 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.454 ' O ' ' HE1' ' A' ' 59' ' ' MET . . . 63.95 -118.5 13.34 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.105 -173.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -107.34 40.32 1.71 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.036 0.446 . . . . 0.0 110.315 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -120.85 131.22 54.29 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.892 176.205 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 71.1 mt -110.72 111.92 23.44 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.902 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.447 ' HA ' HG13 ' A' ' 80' ' ' VAL . 77.2 t -132.81 123.19 48.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.79 -174.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.505 ' HA3' ' CE3' ' A' ' 57' ' ' TRP . . . -142.04 122.0 1.92 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 177.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.44 ' HA ' HG12 ' A' ' 78' ' ' ILE . 86.7 tttt -105.92 104.73 14.5 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.573 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 7.1 m-85 -114.9 148.5 38.56 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.572 -175.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 9.5 ttpp -103.73 114.69 29.14 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.456 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.65 ' HD2' ' H ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -85.72 71.21 10.72 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 174.773 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 p -54.48 -24.79 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.52 -173.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.43 -31.18 65.63 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.791 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -171.06 -39.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.65 ' H ' ' HD2' ' A' ' 70' ' ' ARG . . . -83.59 -23.27 54.12 Favored Glycine 0 CA--C 1.507 -0.409 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.966 -169.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? 73.84 -43.59 0.55 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.446 0.698 . . . . 0.0 112.081 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.521 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 51.9 mt-10 -150.87 109.25 3.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.082 -0.386 . . . . 0.0 110.9 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 94' ' ' TYR . 58.5 tp -116.32 104.87 11.92 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.491 173.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.487 HG22 ' O ' ' A' ' 66' ' ' GLY . 68.8 mt -108.57 124.23 64.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.454 -174.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.06 124.82 49.74 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.447 HG13 ' HA ' ' A' ' 65' ' ' VAL . 2.2 m -145.06 130.64 13.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.405 -172.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.741 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 22.7 tpt180 -166.65 151.94 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 172.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -103.68 163.47 12.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.169 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.2 mm -102.05 125.21 56.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.632 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 13.0 m -103.44 108.73 20.09 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.95 -119.85 18.8 Favored Glycine 0 C--N 1.333 0.401 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -171.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -123.15 95.97 4.82 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.247 165.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' A' ' 84' ' ' SER . 16.6 pt-20 -170.21 148.92 3.38 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.6 tp -122.38 123.56 41.65 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 119.564 -0.855 . . . . 0.0 111.675 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.741 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 3.7 mp -104.67 155.92 6.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 167.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 3.8 tp-100 -135.19 115.72 13.68 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 118.823 0.738 . . . . 0.0 110.56 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -106.17 127.89 53.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -104.0 114.61 28.98 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.175 170.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 25.6 m -99.26 103.47 15.32 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 174.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.521 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -111.5 122.35 47.61 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.682 -171.182 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 67.91 -62.83 0.34 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.978 0.799 . . . . 0.0 111.049 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.16 25.98 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.278 -0.487 . . . . 0.0 112.065 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 93' ' ' THR . 15.6 m -133.01 139.57 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.67 0.272 . . . . 0.0 110.608 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.2 134.14 49.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.164 0.506 . . . . 0.0 111.348 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.15 129.67 32.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 53.4 pttt -132.8 142.1 48.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.387 0.613 . . . . 0.0 112.173 -172.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -120.0 143.11 48.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.804 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.9 tt -101.98 134.2 43.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.537 0.684 . . . . 0.0 111.869 -173.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -135.18 166.76 22.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.776 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 157.55 44.75 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.695 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -67.73 117.16 9.28 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.62 -177.583 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.254 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 82.7 p -100.96 123.43 45.14 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -128.46 104.09 7.5 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.498 ' CD ' ' HB2' ' A' ' 13' ' ' LEU . 10.1 tptm -166.64 169.49 13.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.149 0.499 . . . . 0.0 111.441 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -99.83 146.5 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.182 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.31 132.49 3.44 Favored Glycine 0 C--N 1.336 0.559 0 O-C-N 123.781 0.676 . . . . 0.0 114.186 -172.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.79 -34.71 5.14 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.762 HD21 ' HA ' ' A' ' 28' ' ' SER . 25.2 mt -104.9 165.69 10.9 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -143.77 148.9 36.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.606 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.71 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 1.2 tt -154.91 123.26 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.7 m -142.3 135.93 29.23 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.45 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.513 HG12 ' HA ' ' A' ' 24' ' ' VAL . 36.4 mt -129.47 127.86 65.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 175.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.0 m -113.34 132.06 55.73 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 173.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.8 pm0 -130.96 147.73 52.63 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.672 -170.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -135.51 95.53 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.057 0.456 . . . . 0.0 110.363 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.14 -68.89 1.67 Allowed Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.45 -174.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.427 ' HB2' HD22 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -162.11 97.52 1.03 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.929 0.871 . . . . 0.0 109.24 168.533 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 29.6 ttpt -169.55 104.82 0.35 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CD1' HD23 ' A' ' 39' ' ' LEU . 3.9 m-85 -107.47 136.07 47.87 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.511 -172.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 14.8 t -129.43 129.15 44.3 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 173.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.667 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 57.7 t -103.89 126.88 58.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 -171.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.71 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 52.0 tttp -101.8 102.97 13.66 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 172.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -112.99 137.06 51.96 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.336 0.589 . . . . 0.0 111.055 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -151.77 117.92 5.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.965 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.762 ' HA ' HD21 ' A' ' 11' ' ' LEU . 70.9 m -153.68 144.38 22.57 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.6 m120 65.21 -77.46 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.96 0.788 . . . . 0.0 110.933 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -171.71 58.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.125 0.488 . . . . 0.0 111.039 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.427 ' HD2' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -157.47 138.35 13.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.777 173.328 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -118.41 134.11 55.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.554 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.3 tp -159.71 146.66 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.642 0.258 . . . . 0.0 111.06 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.667 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 24.5 p-10 -120.41 141.08 50.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 110.776 177.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.1 t -128.68 112.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.097 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 9.9 p -103.6 134.32 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.884 0.373 . . . . 0.0 110.5 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -153.99 150.17 27.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.865 -174.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -103.24 141.43 35.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 22' ' ' PHE . 3.9 mm? -62.55 126.56 27.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.198 0.523 . . . . 0.0 111.429 -173.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.89 30.28 61.72 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.596 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.9 t -119.26 139.0 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 122.621 -0.341 . . . . 0.0 110.528 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -102.77 137.96 40.29 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -161.78 153.28 18.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.846 0.355 . . . . 0.0 111.019 -173.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.42 129.67 50.58 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE2' HD22 ' A' ' 47' ' ' LEU . 3.7 t80 -140.42 136.62 33.25 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.086 -173.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 51' ' ' THR . 29.1 t -103.99 130.0 51.62 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.175 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.663 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 88.3 mt -117.0 135.1 53.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.623 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.73 29.93 14.71 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.43 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 50.93 40.43 25.14 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.265 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.88 -55.88 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.285 -0.96 . . . . 0.0 113.219 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.663 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 12.2 p -76.81 132.6 39.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.378 0.589 . . . . 0.0 109.759 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -124.05 97.54 5.39 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.554 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 9.3 mp -104.01 128.95 51.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.531 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 m -118.71 111.14 18.12 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.95 165.31 38.45 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 119.023 -1.56 . . . . 0.0 114.086 -174.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 t -104.67 143.64 32.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.278 -0.461 . . . . 0.0 109.832 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -123.55 137.87 54.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.757 -0.201 . . . . 0.0 110.933 -177.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.5 p -137.32 148.2 46.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 110.85 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.598 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.9 ttt -133.7 113.0 11.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 174.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -103.53 104.77 14.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.161 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.04 -79.52 0.1 Allowed Glycine 0 C--N 1.331 0.277 0 O-C-N 123.437 0.46 . . . . 0.0 112.608 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.453 ' HB2' ' HB ' ' A' ' 83' ' ' ILE . 10.9 p30 -144.5 41.12 1.34 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.51 0.671 . . . . 0.0 109.415 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.598 ' O ' ' HA ' ' A' ' 59' ' ' MET . 27.0 mmtp -124.93 117.12 23.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.953 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 75.3 mt -103.81 105.61 15.88 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.287 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.9 t -142.78 142.05 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.528 -172.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.02 -147.8 5.66 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.441 ' HA ' HG12 ' A' ' 78' ' ' ILE . 34.8 ttmt -166.05 117.7 1.05 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.443 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 9.3 m-85 -120.61 140.2 51.88 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.113 0.482 . . . . 0.0 110.575 -177.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 53.3 tttm -104.59 113.21 26.63 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.217 -175.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.463 ' CD ' HD13 ' A' ' 53' ' ' LEU . 13.4 tpt180 -95.91 74.72 3.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.648 -178.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.97 -38.9 83.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.933 -172.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -80.31 36.56 0.36 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.898 0.38 . . . . 0.0 111.709 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -166.16 -43.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.922 0.391 . . . . 0.0 110.345 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.03 -90.62 0.08 OUTLIER Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.635 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -170.62 -28.12 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 176.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 94' ' ' TYR . 40.6 mt-10 -145.53 115.19 7.26 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.704 -172.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 94' ' ' TYR . 64.5 tp -132.28 105.07 7.09 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.047 173.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.441 HG12 ' HA ' ' A' ' 67' ' ' LYS . 51.5 mt -114.79 139.31 41.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.137 -171.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.536 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -107.23 127.77 53.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 64' ' ' LEU . 89.8 t -140.74 128.18 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.736 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 22.0 tpt180 -166.38 147.38 6.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.037 0.446 . . . . 0.0 112.107 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -104.59 150.15 24.9 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.354 173.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.453 ' HB ' ' HB2' ' A' ' 62' ' ' ASN . 4.7 mp -103.37 116.1 46.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.0 m -104.69 126.75 52.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.153 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.98 -120.42 21.59 Favored Glycine 0 C--N 1.334 0.442 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -129.38 97.84 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.057 0.932 . . . . 0.0 110.304 166.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -170.57 166.57 8.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.632 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.0 tp -147.07 123.21 10.82 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.807 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.736 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 54.0 mt -103.38 159.67 4.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 168.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -136.53 121.47 18.8 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 121.757 -0.589 . . . . 0.0 110.723 -175.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.576 HG21 ' HB2' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -110.1 125.97 53.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.78 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -104.72 113.3 26.79 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 170.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 98' ' ' GLU . 10.7 m -103.32 103.56 13.58 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.643 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.494 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 23.3 t80 -108.4 122.88 47.92 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.226 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 53.15 48.0 23.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.951 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.87 -11.47 53.51 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.802 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.1 t -102.82 119.02 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 117.538 0.669 . . . . 0.0 110.509 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.576 ' HB2' HG21 ' A' ' 91' ' ' THR . 15.5 pt-20 -104.96 134.54 47.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.347 0.594 . . . . 0.0 111.383 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.24 136.06 46.72 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -136.63 142.81 43.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.51 0.672 . . . . 0.0 112.519 -173.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -121.02 149.58 42.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.391 175.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.434 HG12 HG12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.96 134.32 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.42 0.628 . . . . 0.0 111.39 -172.454 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -131.06 166.4 21.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.791 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.98 165.3 30.26 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.714 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -58.2 127.92 34.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.194 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.134 179.655 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.911 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 39.0 p -101.14 123.54 45.45 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -116.22 103.52 10.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.708 -176.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.628 ' HE2' ' HB2' ' A' ' 11' ' ' LEU . 6.6 mmmt -166.08 170.32 13.61 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.989 0.9 . . . . 0.0 113.219 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.4 t -99.27 143.03 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 113.563 -1.653 . . . . 0.0 108.023 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.87 126.06 6.75 Favored Glycine 0 C--N 1.331 0.295 0 O-C-N 123.682 0.614 . . . . 0.0 113.207 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.69 -49.84 0.9 Allowed Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 121.154 -0.546 . . . . 0.0 111.759 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.628 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -108.72 165.02 11.87 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.165 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -133.04 136.06 45.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.351 0.596 . . . . 0.0 110.864 175.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.68 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 4.5 tt -132.84 131.69 41.3 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.592 ' N ' HD22 ' A' ' 13' ' ' LEU . 6.5 m -135.82 125.84 26.03 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.983 0.42 . . . . 0.0 110.855 -174.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.505 HG12 ' HA ' ' A' ' 24' ' ' VAL . 65.5 mt -126.04 119.32 54.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 m -131.32 129.49 41.51 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.6 pm0 -112.58 134.89 53.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.309 0.576 . . . . 0.0 110.954 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -107.67 90.56 3.34 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.007 175.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.97 -106.59 2.31 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -168.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -124.32 98.55 5.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 37.7 tttm -169.8 105.21 0.34 Allowed 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -104.86 148.01 27.12 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.357 0.599 . . . . 0.0 111.392 -171.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.6 t -155.77 130.4 9.07 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.367 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.578 HG12 HD23 ' A' ' 13' ' ' LEU . 95.7 t -104.71 122.3 57.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.877 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.68 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 79.3 tttt -101.98 103.7 14.34 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -104.49 132.99 50.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.969 0.414 . . . . 0.0 110.356 -176.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.412 ' C ' ' HG ' ' A' ' 28' ' ' SER . 5.8 m -139.66 138.79 36.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.416 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.551 ' HA ' HD21 ' A' ' 11' ' ' LEU . 65.9 m -160.07 131.35 5.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.428 0.156 . . . . 0.0 110.959 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 m120 68.4 -64.42 0.3 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.974 0.796 . . . . 0.0 112.707 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -170.7 56.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.298 0.571 . . . . 0.0 110.135 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 28' ' ' SER . 24.3 ptt85 -166.03 165.09 18.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.203 -177.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.95 138.56 14.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.62 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.9 tt -155.13 133.35 2.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.564 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.556 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 29.8 p-10 -106.09 137.85 43.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.475 0.655 . . . . 0.0 111.775 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 23' ' ' THR . 40.9 t -107.1 113.61 43.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.212 -0.904 . . . . 0.0 108.607 173.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.9 p -103.91 133.78 46.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.602 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.681 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -164.58 132.51 3.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.332 0.587 . . . . 0.0 111.203 -176.097 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -104.7 137.84 41.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.945 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.407 ' H ' ' CD1' ' A' ' 39' ' ' LEU . 5.9 mp -49.98 120.8 4.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.206 -171.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.11 36.28 90.15 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.688 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.9 t -130.3 145.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 p-10 -100.4 143.99 29.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.076 0.465 . . . . 0.0 109.801 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' ' 54' ' ' THR . 22.1 p90 -148.77 149.04 30.7 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.875 -169.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.95 122.95 20.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.437 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -166.36 163.81 17.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.434 ' CB ' ' HG2' ' A' ' 52' ' ' GLU . 75.2 p -103.96 127.37 51.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.056 177.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.437 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 53.9 mt -103.62 126.51 50.81 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.412 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 53.28 31.87 12.54 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.025 0.828 . . . . 0.0 111.61 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 49.15 44.12 22.89 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.785 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.44 -57.04 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.379 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.523 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 58.4 p -95.69 123.48 39.27 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.557 -0.378 . . . . 0.0 110.098 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.434 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 46.1 mt-10 -118.89 90.73 3.39 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.755 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 9.5 mp -103.24 120.36 40.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.203 0.525 . . . . 0.0 111.189 -173.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 10.6 m -104.17 111.58 24.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.342 172.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -165.98 166.74 38.84 Favored Glycine 0 N--CA 1.437 -1.296 0 C-N-CA 118.664 -1.731 . . . . 0.0 114.076 -172.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.75 136.85 39.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.03 -0.585 . . . . 0.0 109.547 177.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.923 ' HE1' HD22 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -128.45 157.75 40.25 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.525 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.1 p -120.68 141.49 50.36 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.155 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.642 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.4 ttt -111.03 118.17 35.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.354 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -139.72 123.45 17.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.647 178.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.28 44.51 94.99 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.942 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.7 m120 64.63 44.6 3.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.26 0.552 . . . . 0.0 110.734 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.642 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.7 OUTLIER -132.49 131.85 42.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.527 175.055 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.923 HD22 ' HE1' ' A' ' 57' ' ' TRP . 37.5 mt -114.7 103.23 10.78 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.414 -177.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.645 HG21 HG12 ' A' ' 80' ' ' VAL . 44.9 t -145.55 120.86 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.65 0.262 . . . . 0.0 111.283 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.693 ' HA3' ' HA ' ' A' ' 57' ' ' TRP . . . -143.05 -136.55 3.19 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.734 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.538 ' C ' ' HD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -160.75 116.49 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.512 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.749 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -123.89 142.6 50.99 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -174.103 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.755 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 3.6 ttmp? -106.8 125.44 51.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.942 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.95 80.29 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.12 -33.5 62.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.5 -38.02 73.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -106.6 -37.05 6.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.038 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -154.32 -105.85 0.26 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.15 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -152.85 -30.61 0.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.492 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.467 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 46.5 mt-10 -144.41 120.58 10.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.947 0.403 . . . . 0.0 111.532 -175.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.874 HD13 ' HB2' ' A' ' 94' ' ' TYR . 64.0 tp -135.39 103.99 5.69 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.8 mt -103.25 142.71 16.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.449 -166.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -102.25 117.15 34.15 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.645 HG12 HG21 ' A' ' 65' ' ' VAL . 96.1 t -136.91 125.94 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.26 -177.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.729 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 17.0 tpt180 -166.36 150.66 7.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.091 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -119.12 149.86 41.0 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.7 mp -102.43 124.71 56.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -118.47 130.91 56.21 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.7 -127.04 43.6 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -175.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.02 95.23 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.481 168.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.9 pt-20 -171.62 166.39 6.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 175.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 54.9 tp -152.14 128.49 10.6 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.799 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.729 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 17.0 mm -102.96 164.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 170.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -141.03 107.92 5.41 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.95 -0.469 . . . . 0.0 110.072 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.715 HG21 ' HE2' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -104.76 128.13 52.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.541 -175.297 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -103.85 111.76 24.43 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.459 170.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 98' ' ' GLU . 10.3 m -102.99 106.34 16.84 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.996 0.427 . . . . 0.0 110.017 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.874 ' HB2' HD13 ' A' ' 77' ' ' LEU . 32.0 t80 -103.59 124.55 49.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.208 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 64.32 -72.06 0.06 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 124.07 0.856 . . . . 0.0 111.542 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.68 24.59 0.26 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 94' ' ' TYR . 17.0 m -133.08 141.69 44.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.593 ' HB2' HG23 ' A' ' 91' ' ' THR . 11.3 pt-20 -118.91 126.04 50.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.512 0.672 . . . . 0.0 111.877 -175.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.29 133.63 52.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 173.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.715 ' HE2' HG21 ' A' ' 91' ' ' THR . 13.1 ptpt -128.22 139.41 52.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.746 0.784 . . . . 0.0 112.695 -172.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -105.46 139.32 40.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.458 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 68.2 mt -103.54 133.67 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.884 0.373 . . . . 0.0 111.575 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 88' ' ' LEU . 68.1 m-85 -139.04 161.78 36.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.39 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -153.06 153.08 32.13 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -60.69 127.17 30.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.617 0.246 . . . . 0.0 110.693 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.595 -0.716 . . . . 0.0 110.052 176.636 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.967 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.434 ' C ' ' HD1' ' A' ' 6' ' ' TRP . 13.0 p -100.86 128.39 46.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.146 0.498 . . . . 0.0 110.607 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.434 ' HD1' ' C ' ' A' ' 5' ' ' THR . 12.2 m0 -127.63 103.82 7.53 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.627 ' CD ' ' HB2' ' A' ' 13' ' ' LEU . 22.0 tptt -166.19 166.88 16.65 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 t -103.52 142.25 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 113.644 -1.617 . . . . 0.0 108.409 170.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.1 141.45 20.53 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 121.667 -0.301 . . . . 0.0 113.679 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.18 -33.9 5.21 Favored Glycine 0 C--N 1.331 0.29 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.564 HD23 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -138.4 164.78 28.47 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 176.406 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.588 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 20.5 ptmt -140.05 150.99 45.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 118.594 0.634 . . . . 0.0 111.255 -177.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.824 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 1.4 tt -142.89 133.26 24.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.748 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 m -136.14 130.11 32.79 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.79 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -124.48 125.69 70.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.456 HG21 ' N ' ' A' ' 17' ' ' GLN . 31.0 m -135.92 146.97 47.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -177.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.498 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 2.8 pp0? -130.23 165.09 23.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.211 0.529 . . . . 0.0 111.453 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -147.15 78.3 1.48 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.994 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.69 -103.38 2.83 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -167.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -131.78 96.32 3.92 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 164.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 1.9 ttmp? -169.4 106.53 0.39 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.528 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 7.8 m-85 -108.04 130.69 55.06 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.067 -172.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -113.48 139.89 48.57 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 173.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.8 t -121.4 127.74 75.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.01 -173.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.824 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 17.3 tttm -103.06 104.38 14.55 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 178.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.44 166.68 10.28 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 174.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.422 ' CB ' ' HA ' ' A' ' 31' ' ' ARG . 71.1 m -156.58 114.08 3.2 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.067 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 18.9 m -148.25 103.58 3.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.594 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER 163.56 -72.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 105.515 -2.031 . . . . 0.0 105.515 -177.346 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.434 ' C ' ' HD2' ' A' ' 31' ' ' ARG . 60.9 m-85 -125.92 -57.98 1.41 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 103.876 -2.638 . . . . 0.0 103.876 157.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -170.41 99.92 0.26 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 113.072 -1.876 . . . . 0.0 109.697 166.769 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.632 ' O ' HG12 ' A' ' 33' ' ' ILE . 53.1 t30 -170.84 108.66 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.632 HG12 ' O ' ' A' ' 32' ' ' ASN . 2.3 mm -168.81 145.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.735 171.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.79 136.22 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.533 0.683 . . . . 0.0 111.285 172.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.454 HG13 ' OH ' ' A' ' 45' ' ' TYR . 58.8 t -127.79 116.63 43.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.183 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.7 p -112.1 132.9 59.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.678 0.275 . . . . 0.0 110.409 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.528 ' CE1' ' HB2' ' A' ' 22' ' ' PHE . 27.7 p90 -153.52 145.5 23.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.546 0.689 . . . . 0.0 111.787 -175.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.423 ' HB2' ' CG2' ' A' ' 41' ' ' VAL . 46.2 mt-10 -104.47 145.2 30.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.675 174.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 ' H ' HD13 ' A' ' 39' ' ' LEU . 10.3 mp -62.75 121.74 14.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.938 0.399 . . . . 0.0 110.809 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.99 39.54 45.86 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.682 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' A' ' 56' ' ' THR . 55.3 t -130.96 138.66 53.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.488 ' N ' HG12 ' A' ' 41' ' ' VAL . 22.2 t70 -101.54 137.29 40.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.697 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 54' ' ' THR . 32.3 p90 -155.36 165.21 37.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.232 -174.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.537 ' HB1' HG21 ' A' ' 54' ' ' THR . . . -146.99 130.99 17.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.276 -177.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.454 ' OH ' HG13 ' A' ' 35' ' ' VAL . 2.9 p90 -165.63 168.81 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.774 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -99.86 126.36 45.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.515 0.674 . . . . 0.0 110.08 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.8 mt -104.39 138.75 40.34 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.164 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 68.97 -68.22 0.19 Allowed 'General case' 0 C--O 1.234 0.264 0 O-C-N 124.452 1.095 . . . . 0.0 111.343 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 t70 176.26 20.77 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.122 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 -70.67 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 119.166 -1.493 . . . . 0.0 114.293 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.673 ' HA ' ' CZ ' ' A' ' 70' ' ' ARG . 80.7 p -58.55 122.06 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.169 0.484 . . . . 0.0 111.831 -172.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -114.38 91.01 3.48 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.711 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 11.2 mp -100.88 123.44 45.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.353 0.597 . . . . 0.0 111.41 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.537 HG21 ' HB1' ' A' ' 44' ' ' ALA . 8.2 m -104.59 111.31 23.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.145 175.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.02 165.43 38.11 Favored Glycine 0 N--CA 1.439 -1.14 0 C-N-CA 119.092 -1.528 . . . . 0.0 113.84 -175.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 8.2 t -103.42 146.37 28.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.291 -0.455 . . . . 0.0 110.046 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.61 ' HE1' HD22 ' A' ' 64' ' ' LEU . 35.2 t-105 -124.42 137.09 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.461 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.6 p -131.9 143.45 50.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.326 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.468 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 26.4 ttt -128.07 107.53 9.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.037 0.446 . . . . 0.0 110.267 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -104.45 104.62 14.51 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.547 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.58 -83.48 0.28 Allowed Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 112.681 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.458 ' HB2' ' HB ' ' A' ' 83' ' ' ILE . 17.2 p30 -145.87 39.93 1.15 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.714 0.768 . . . . 0.0 109.121 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 59' ' ' MET . 12.6 mptt -125.82 126.21 44.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.372 178.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.61 HD22 ' HE1' ' A' ' 57' ' ' TRP . 63.7 mt -107.16 109.58 21.44 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.744 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 66' ' ' GLY . 65.9 t -135.44 140.67 44.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.664 -174.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.427 ' N ' HG13 ' A' ' 65' ' ' VAL . . . -162.5 -160.19 10.93 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.598 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -165.07 113.19 1.02 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 5.1 m-85 -119.87 149.81 41.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.935 0.398 . . . . 0.0 111.096 -174.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.711 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 36.3 ttmt -103.67 127.05 51.17 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.941 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.673 ' CZ ' ' HA ' ' A' ' 51' ' ' THR . 22.7 tpt180 -123.0 85.13 2.37 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.107 -177.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.86 -38.71 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.268 -170.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -80.83 45.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.431 0.634 . . . . 0.0 110.979 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -166.36 -51.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.886 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.617 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . 176.56 38.29 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.812 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.6 pttt 43.96 32.06 0.58 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.696 1.198 . . . . 0.0 113.455 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.406 ' N ' ' H ' ' A' ' 70' ' ' ARG . 17.3 mt-10 -165.31 142.85 5.92 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.019 0.437 . . . . 0.0 111.713 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 40.9 tp -168.58 108.99 0.51 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.49 171.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.9 mt -109.69 129.07 65.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -171.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.595 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -108.02 122.48 46.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 173.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 79' ' ' ALA . 54.9 t -144.9 131.25 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -177.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.659 ' HG2' ' HB ' ' A' ' 89' ' ' ILE . 14.6 tpt180 -166.02 150.09 7.91 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 121.006 0.431 . . . . 0.0 112.033 176.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -105.08 158.42 16.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.78 176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.528 ' N ' HD13 ' A' ' 83' ' ' ILE . 3.1 mp -103.16 119.98 52.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 25.3 t -107.79 122.76 47.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.956 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.57 -121.13 25.1 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -173.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.85 95.93 4.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.66 0.743 . . . . 0.0 109.205 165.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 84' ' ' SER . 12.0 pt-20 -170.5 150.09 3.39 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.437 -1.256 . . . . 0.0 107.649 174.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 tp -124.35 133.99 53.28 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.368 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.659 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 15.6 mm -113.29 156.53 14.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 171.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.505 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 7.9 tt0 -140.77 111.53 6.97 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.616 -0.433 . . . . 0.0 109.999 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.595 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -106.63 131.73 53.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.474 -176.158 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -103.23 106.91 17.53 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.9 m -104.43 136.64 43.62 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.594 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.617 ' OH ' ' HA3' ' A' ' 74' ' ' GLY . 52.8 t80 -161.33 135.77 7.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 65.79 -69.48 0.11 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.934 0.771 . . . . 0.0 112.293 174.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.29 28.62 0.11 Allowed Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.0 m -139.92 147.92 23.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.768 0.318 . . . . 0.0 110.419 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.416 ' HB2' HG21 ' A' ' 91' ' ' THR . 17.9 pt-20 -126.22 126.89 44.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.482 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.47 114.8 24.73 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 17.8 pttm -120.08 136.7 54.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.607 0.718 . . . . 0.0 111.762 -178.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.621 ' HE ' ' HZ ' ' A' ' 103' ' ' PHE . 38.2 ttp180 -106.76 138.21 43.36 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.466 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 102' ' ' ILE . 3.3 mp -102.03 132.05 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.897 0.38 . . . . 0.0 111.5 -169.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.621 ' HZ ' ' HE ' ' A' ' 101' ' ' ARG . 5.5 m-85 -136.38 165.65 25.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.564 178.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.42 ' HD2' ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -143.75 153.09 42.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 178.176 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -58.09 133.88 55.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.648 0.261 . . . . 0.0 110.873 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--O 1.246 0.877 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 173.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.956 ' HA3' HG22 ' A' ' 14' ' ' THR . . . . . . . . 0 N--CA 1.418 -2.55 0 CA-C-O 117.077 -1.957 . . . . 0.0 114.754 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.79 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -176.03 102.26 0.07 Allowed 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 122.103 -0.646 . . . . 0.0 111.248 155.261 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -140.22 98.45 3.44 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 173.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.506 ' CG ' ' HB2' ' A' ' 11' ' ' LEU . 27.2 tptt -168.82 166.66 11.4 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.864 -0.735 . . . . 0.0 112.483 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.7 t -103.86 137.77 31.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.497 -177.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.22 -134.53 44.97 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.869 -0.605 . . . . 0.0 114.289 171.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.59 34.57 2.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.265 -0.493 . . . . 0.0 113.069 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 7' ' ' LYS . 18.5 mt -120.79 143.18 48.97 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -121.45 141.71 50.74 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.074 0.464 . . . . 0.0 110.794 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.815 HD23 HG11 ' A' ' 24' ' ' VAL . 3.0 tt -141.17 132.58 26.79 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.956 HG22 ' HA3' ' A' ' 4' ' ' GLY . 20.2 m -128.26 129.12 45.9 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.965 -176.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.809 ' H ' ' HA2' ' A' ' 4' ' ' GLY . 57.5 mt -123.99 98.29 5.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.501 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 m -104.3 139.3 39.49 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.284 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 2.5 pp0? -149.67 144.55 26.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.392 0.615 . . . . 0.0 112.505 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -99.76 -118.06 0.15 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.141 174.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.43 -54.41 16.31 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.012 -1.09 . . . . 0.0 110.883 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -158.72 97.13 1.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.644 0.735 . . . . 0.0 109.147 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 35.9 tttm -170.78 115.85 0.46 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.592 -1.185 . . . . 0.0 107.95 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -113.39 148.05 36.55 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.739 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 15.3 t -141.13 136.05 31.5 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.861 174.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.815 HG11 HD23 ' A' ' 13' ' ' LEU . 82.1 t -113.5 129.41 69.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.296 -173.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.751 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 34.0 ttmt -101.12 110.14 22.12 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.453 ' CD ' ' HZ2' ' A' ' 7' ' ' LYS . 16.2 mm-40 -107.94 132.48 53.45 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 120.928 0.394 . . . . 0.0 111.071 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.528 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 18.8 m -144.34 118.1 9.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.424 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 70.5 m -160.51 143.09 13.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.139 -177.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m120 67.04 -75.47 0.06 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 124.015 0.822 . . . . 0.0 111.194 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -167.74 57.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.197 0.522 . . . . 0.0 110.037 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.528 ' O ' ' HA ' ' A' ' 27' ' ' SER . 27.2 ptt180 -162.35 142.08 9.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.98 0.419 . . . . 0.0 111.417 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -127.04 129.06 47.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.7 tt -154.68 139.23 9.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.836 0.35 . . . . 0.0 110.566 -175.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.627 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 35.3 m-20 -110.56 133.65 53.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.363 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' THR . 16.3 t -110.54 110.34 31.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.5 p -103.62 138.45 28.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.581 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -159.35 145.03 16.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.459 0.647 . . . . 0.0 111.215 -176.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -103.96 148.44 26.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.556 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.583 ' H ' HD13 ' A' ' 39' ' ' LEU . 9.0 mp -62.81 124.44 21.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -176.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.36 37.76 58.76 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.733 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 56' ' ' THR . 78.3 t -125.61 135.22 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.772 0.286 . . . . 0.0 110.545 178.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.4 p30 -103.99 139.28 39.34 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -162.66 155.17 19.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.829 -172.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -104.42 137.19 42.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.547 175.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -155.04 142.33 19.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.683 0.277 . . . . 0.0 110.55 -175.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.3 t -102.72 128.24 49.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.868 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.517 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 95.5 mt -112.57 125.83 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.177 -176.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.85 31.11 15.05 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.38 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.2 t0 49.19 49.83 18.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.168 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.78 -53.78 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.489 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.567 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 69.2 p -92.36 122.86 35.22 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.558 -0.377 . . . . 0.0 110.102 178.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -111.2 94.74 5.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.567 ' CD1' ' HB ' ' A' ' 51' ' ' THR . 11.2 mp -104.42 124.27 48.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.423 -173.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 6.8 m -104.83 114.25 28.34 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.551 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.36 165.64 38.39 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 118.795 -1.669 . . . . 0.0 114.725 -173.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 9.3 t -106.49 148.66 27.93 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.113 -0.543 . . . . 0.0 109.998 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -125.5 140.81 52.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.795 ' HG1' HG11 ' A' ' 65' ' ' VAL . 20.7 p -133.37 142.76 48.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.995 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.444 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.1 ttt -125.2 106.01 9.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.244 0.545 . . . . 0.0 109.786 171.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -103.83 108.57 19.94 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.629 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.46 -104.92 1.15 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.974 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -124.6 40.78 3.66 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.411 0.624 . . . . 0.0 109.411 175.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 59' ' ' MET . 4.3 mppt? -124.88 128.38 48.58 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.932 177.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.768 HD13 HD11 ' A' ' 83' ' ' ILE . 45.6 mt -108.47 122.04 46.21 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.006 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.795 HG11 ' HG1' ' A' ' 58' ' ' THR . 3.1 p -160.35 152.65 4.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.454 -169.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.57 -149.93 7.23 Favored Glycine 0 N--CA 1.439 -1.136 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.334 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 67' ' ' LYS . 5.0 ttmp? -161.72 107.03 1.29 Allowed 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.551 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 6.6 m-85 -117.48 150.35 39.07 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.689 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 5.0 ptpp? -121.83 126.36 48.6 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.331 0.586 . . . . 0.0 111.34 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.569 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -94.45 106.67 18.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.365 -179.052 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -63.55 -40.47 89.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -173.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -62.05 -37.59 85.55 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.811 0.339 . . . . 0.0 111.404 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.438 ' H ' ' HD2' ' A' ' 70' ' ' ARG . 6.2 m120 -71.12 -48.32 52.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.704 0.764 . . . . 0.0 109.777 176.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.36 -64.48 0.14 Allowed Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.488 ' C ' ' HB2' ' A' ' 69' ' ' LYS . 19.0 ptpt 176.04 54.03 0.0 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.066 -0.567 . . . . 0.0 111.473 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.689 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 3.1 mt-10 -168.01 139.72 2.94 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 176.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 70' ' ' ARG . 5.0 tt -169.13 103.64 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 168.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 58.7 mt -118.81 131.0 72.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.945 0.403 . . . . 0.0 111.876 -169.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.623 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -106.67 129.65 54.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.001 174.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.511 HG23 HG22 ' A' ' 65' ' ' VAL . 57.7 t -140.82 129.01 23.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.679 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 13.7 tpt180 -166.71 148.95 6.44 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 63' ' ' LYS . 12.4 pt-20 -105.71 166.06 10.73 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 171.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.768 HD11 HD13 ' A' ' 64' ' ' LEU . 18.6 mm -101.79 123.18 54.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.533 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 3.7 p -108.1 122.88 47.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.51 -121.97 26.41 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -123.93 96.68 5.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 122.276 1.036 . . . . 0.0 109.15 164.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 104' ' ' LYS . 14.2 pt-20 -169.62 166.31 9.98 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.4 tp -138.4 127.23 23.76 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.391 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.679 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 32.1 mm -104.86 150.4 7.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 171.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.2 tp-100 -131.17 112.72 13.08 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.418 -176.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.623 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -104.58 125.99 51.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.329 -176.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.424 ' HD2' HD23 ' A' ' 77' ' ' LEU . 21.8 m-85 -104.29 107.24 18.06 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 5.7 m -104.22 134.34 47.61 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.12 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -145.85 122.36 11.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.977 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 68.3 -60.44 0.42 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.285 0.99 . . . . 0.0 111.638 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.89 31.36 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 93' ' ' THR . 22.0 t -131.68 130.06 61.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.64 126.14 55.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.245 0.545 . . . . 0.0 110.819 176.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.34 126.14 36.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 18.5 pttm -130.85 137.28 49.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.141 0.496 . . . . 0.0 112.09 -172.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 101' ' ' ARG . 32.4 ttt-85 -104.79 154.73 19.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.535 178.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.44 ' HA ' HD11 ' A' ' 89' ' ' ILE . 13.3 tt -101.58 136.43 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.314 0.578 . . . . 0.0 112.001 -173.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -144.65 167.51 22.38 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -141.69 162.92 34.3 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.513 -178.521 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.561 ' HD2' ' O ' ' A' ' 5' ' ' THR . 23.8 tptp -68.38 131.36 45.17 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.609 ' CB ' ' HB ' ' A' ' 5' ' ' THR . 8.1 tp10 . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.989 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.097 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 48.6 p -99.91 129.29 45.98 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 1.05 ' HZ3' ' HA ' ' A' ' 87' ' ' GLU . 23.9 m95 -136.52 103.44 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -177.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -166.17 167.95 15.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.901 0.381 . . . . 0.0 111.51 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 9' ' ' GLY . 15.3 t -100.85 155.48 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.472 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.482 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -47.84 139.94 9.6 Favored Glycine 0 C--N 1.335 0.511 0 O-C-N 123.412 0.445 . . . . 0.0 113.506 -175.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.63 -36.4 3.85 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.541 -0.623 . . . . 0.0 111.541 -175.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 28' ' ' SER . 13.0 mt -111.44 165.23 12.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.78 148.7 37.62 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.642 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 4.5 tt -150.81 132.08 14.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.087 0.47 . . . . 0.0 109.783 -175.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.425 ' OG1' HG22 ' A' ' 5' ' ' THR . 19.1 m -142.26 136.43 29.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.011 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.564 ' HA ' ' O ' ' A' ' 23' ' ' THR . 48.7 mt -132.8 139.63 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -134.89 130.53 36.06 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.562 ' HG2' ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -163.6 168.86 19.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.516 -170.47 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 1.022 ' H ' ' HB2' ' A' ' 20' ' ' ASN . 12.6 pt-20 -166.29 59.54 0.1 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.524 0.73 . . . . 0.0 109.82 178.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.1 63.17 3.56 Favored Glycine 0 C--N 1.343 0.953 0 N-CA-C 107.255 -2.338 . . . . 0.0 107.255 -165.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 1.022 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -149.09 -170.65 3.68 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -146.651 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.698 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 34.7 ttpt -96.63 123.46 40.31 Favored 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 110.87 -2.877 . . . . 0.0 106.451 176.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.567 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 1.3 m-30 -101.72 117.58 35.18 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.241 -168.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.564 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -108.56 124.52 50.6 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.468 -179.059 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 69.7 t -103.73 133.7 46.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.894 -175.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.642 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 74.3 tttt -101.84 105.37 16.2 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -105.55 138.08 42.34 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -151.28 134.73 16.19 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.528 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.624 ' HA ' HD23 ' A' ' 11' ' ' LEU . 50.4 m -153.12 112.3 3.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.77 0.319 . . . . 0.0 111.414 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 66.1 -62.3 0.26 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.274 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.93 45.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.003 0.43 . . . . 0.0 111.155 -176.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -160.81 135.72 7.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.149 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -126.31 129.82 49.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.794 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.6 tt -146.59 134.95 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.043 -174.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.551 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 13.1 p-10 -107.7 137.76 45.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.094 0.473 . . . . 0.0 110.796 178.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.49 HG21 HD23 ' A' ' 47' ' ' LEU . 21.8 t -112.57 109.49 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.4 177.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.4 p -106.68 132.2 54.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.003 0.43 . . . . 0.0 111.406 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 22' ' ' PHE . 8.9 p90 -153.46 141.52 20.34 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.381 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.698 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 33.2 tt0 -100.7 143.75 30.49 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.587 -173.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 20' ' ' ASN . 1.1 mt -53.23 112.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.816 -175.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.3 40.74 69.75 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.08 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' THR . 71.6 t -124.04 138.19 54.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.934 0.367 . . . . 0.0 110.348 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -106.85 133.93 50.76 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -164.39 165.28 21.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -169.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.497 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -104.62 132.35 50.97 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 173.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -143.54 140.14 30.1 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.533 ' HA ' ' O ' ' A' ' 51' ' ' THR . 36.8 t -102.85 128.81 49.47 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 121.153 0.502 . . . . 0.0 110.132 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.49 HD23 HG21 ' A' ' 35' ' ' VAL . 54.1 mt -110.3 136.34 49.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.699 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.05 24.71 11.47 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.891 0.745 . . . . 0.0 110.755 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 51.67 38.84 23.82 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.263 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.52 -54.95 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.538 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.533 ' O ' ' HA ' ' A' ' 46' ' ' SER . 49.7 p -77.56 139.53 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -125.52 99.54 6.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.69 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 10.7 mp -103.97 124.16 48.5 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.306 -174.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 6.3 m -104.93 113.55 27.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 171.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -167.03 165.97 38.89 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 119.541 -1.314 . . . . 0.0 113.744 -175.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 13.1 t -108.95 146.52 33.7 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.517 ' HE1' HD22 ' A' ' 64' ' ' LEU . 31.6 t-105 -129.04 136.03 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.919 -178.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.9 p -132.75 129.21 38.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 111.054 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.884 ' HE1' ' HA ' ' A' ' 62' ' ' ASN . 9.4 tpt -107.31 104.99 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 173.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -104.56 103.68 13.4 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.623 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.38 -66.65 0.75 Allowed Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.195 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.884 ' HA ' ' HE1' ' A' ' 59' ' ' MET . 9.3 p-10 -165.81 41.0 0.06 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -176.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -141.69 126.39 18.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.781 -178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.517 HD22 ' HE1' ' A' ' 57' ' ' TRP . 32.9 mt -103.57 104.63 14.71 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.867 -176.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.6 t -135.21 136.24 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.673 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -169.41 -157.31 11.72 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -166.2 120.85 1.16 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.481 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 9.2 m-85 -121.19 147.27 45.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.48 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.69 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 35.6 ttmt -104.4 127.27 52.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.319 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.634 ' HD2' HD22 ' A' ' 77' ' ' LEU . 20.7 ttt180 -125.98 101.12 6.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.362 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.5 ' C ' ' H ' ' A' ' 73' ' ' ASN . 8.7 p -70.65 -15.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.169 0.509 . . . . 0.0 110.279 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -70.51 24.23 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.068 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.5 ' H ' ' C ' ' A' ' 71' ' ' VAL . 45.5 t30 -173.22 -41.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.435 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . -162.31 -84.86 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -173.7 34.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.599 0.238 . . . . 0.0 111.105 172.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.491 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 37.5 mt-10 -162.99 147.09 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.344 0.592 . . . . 0.0 111.223 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.634 HD22 ' HD2' ' A' ' 70' ' ' ARG . 40.7 tp -167.09 104.33 0.55 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 171.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.628 ' HB ' ' HB ' ' A' ' 93' ' ' THR . 48.1 mt -115.39 148.27 18.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.667 -170.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.66 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -121.74 130.79 53.68 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 171.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.8 p -149.86 124.33 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.522 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 14.0 tpt180 -169.18 166.2 10.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.495 174.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -126.31 146.58 49.97 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.957 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.519 HD11 ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -102.61 128.18 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.901 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 166.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.497 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 46.9 m -148.06 98.09 2.88 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 118.325 -1.35 . . . . 0.0 112.159 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 51.3 39.94 44.4 Favored Glycine 0 CA--C 1.498 -1.023 0 N-CA-C 108.595 -1.802 . . . . 0.0 108.595 -175.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 84' ' ' SER . 4.2 t-20 -166.65 173.68 9.45 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-N 112.469 -1.866 . . . . 0.0 107.699 -159.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 1.05 ' HA ' ' HZ3' ' A' ' 6' ' ' TRP . 0.7 OUTLIER -103.17 167.94 9.5 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 113.319 -1.764 . . . . 0.0 107.385 -178.027 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 12.6 tp -96.19 129.63 43.45 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-O 121.922 0.868 . . . . 0.0 112.155 -165.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.591 HG23 ' N ' ' A' ' 90' ' ' GLN . 4.0 mp -101.82 163.56 3.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.591 ' N ' HG23 ' A' ' 89' ' ' ILE . 52.5 tt0 -138.74 118.8 13.42 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 121.368 -0.833 . . . . 0.0 111.313 -175.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.66 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 7.4 m -104.99 133.0 50.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.28 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 78' ' ' ILE . 6.9 m-85 -104.05 108.32 19.62 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 167.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.628 ' HB ' ' HB ' ' A' ' 78' ' ' ILE . 34.3 m -102.44 134.86 45.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.862 -175.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.435 ' OH ' ' HA3' ' A' ' 74' ' ' GLY . 46.1 t80 -147.61 122.3 9.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.695 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 56.38 43.69 25.77 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.588 0.708 . . . . 0.0 110.465 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.54 14.34 69.44 Favored Glycine 0 CA--C 1.521 0.434 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.503 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 93' ' ' THR . 25.4 t -104.19 135.6 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 117.034 0.417 . . . . 0.0 109.931 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -104.93 133.87 49.01 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.239 0.543 . . . . 0.0 111.478 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.66 113.78 9.39 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -129.26 148.73 51.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -168.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.7 tpt85 -122.67 143.06 50.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.56 -1.2 . . . . 0.0 107.952 172.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 73.7 mt -100.31 126.79 53.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.379 0.609 . . . . 0.0 111.029 -173.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.5 ' HB2' ' O ' ' A' ' 88' ' ' LEU . 55.0 m-85 -123.01 168.48 12.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.824 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.57 ' HA ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -142.29 165.41 27.51 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.82 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 6' ' ' TRP . 8.8 tmtm? -54.69 132.86 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.673 ' H ' ' HA ' ' A' ' 6' ' ' TRP . 19.8 tt0 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.434 -0.793 . . . . 0.0 110.426 -174.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.855 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -101.2 127.73 47.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.659 0.266 . . . . 0.0 110.812 -178.765 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -132.0 102.18 5.72 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.552 ' CD ' ' HB2' ' A' ' 13' ' ' LEU . 29.4 tptt -168.15 171.0 9.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.081 0.467 . . . . 0.0 111.925 -176.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.578 HG21 ' HD1' ' A' ' 103' ' ' PHE . 38.5 t -99.33 146.47 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.288 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.21 140.03 5.02 Favored Glycine 0 C--N 1.335 0.509 0 O-C-N 123.728 0.642 . . . . 0.0 113.925 -174.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.78 -38.77 3.01 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -174.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 28' ' ' SER . 23.4 mt -104.9 165.59 10.97 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -146.26 143.12 28.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.893 0.377 . . . . 0.0 110.149 174.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 14' ' ' THR . 3.6 tt -139.79 135.17 32.76 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.657 ' N ' HD22 ' A' ' 13' ' ' LEU . 4.8 m -135.03 122.28 21.58 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -110.77 115.05 48.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 m -123.01 144.37 49.31 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.395 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.604 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.7 pm0 -130.34 132.83 46.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.295 0.569 . . . . 0.0 111.274 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -104.27 87.07 2.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.85 174.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.56 -103.65 1.56 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -167.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -125.82 94.35 4.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 166.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.604 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 8.6 mtpm? -169.51 106.17 0.38 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -103.67 128.96 50.92 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.447 -171.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 9.5 t -115.45 129.66 56.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.352 175.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.425 ' CG1' HD23 ' A' ' 13' ' ' LEU . 54.6 t -104.2 124.85 58.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.643 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 40.0 tttm -100.47 110.4 22.58 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -103.69 136.71 42.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.405 0.622 . . . . 0.0 111.063 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.565 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 7.5 m -144.81 110.81 5.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.713 177.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.512 ' HA ' HD21 ' A' ' 11' ' ' LEU . 58.5 m -158.72 152.38 23.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 -174.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 m120 68.1 -78.38 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.795 0.684 . . . . 0.0 110.785 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -167.37 47.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.565 ' O ' ' HA ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -144.71 148.83 34.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.064 -167.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -145.38 115.71 7.55 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.551 174.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.41 HG21 HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -152.67 136.48 8.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.237 -172.28 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.0 137.61 41.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.253 -176.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.7 t -114.02 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 11.4 p -107.5 137.95 36.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.954 0.407 . . . . 0.0 110.969 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -150.27 143.55 25.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.918 -177.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -103.65 141.99 35.09 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 mp -59.21 121.71 12.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.283 -173.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.62 30.15 60.45 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.898 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 42' ' ' ASP . 81.7 t -119.06 137.94 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.847 0.356 . . . . 0.0 110.381 178.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 9.1 p-10 -104.35 141.08 36.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.394 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -163.81 150.39 11.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.108 0.48 . . . . 0.0 111.667 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -104.65 136.22 44.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.581 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.409 ' HD2' HD23 ' A' ' 47' ' ' LEU . 23.2 t80 -159.54 149.69 18.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.796 0.331 . . . . 0.0 110.749 -176.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 t -102.26 126.23 49.19 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.629 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.57 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 85.2 mt -108.34 129.6 55.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.626 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 51.96 32.14 9.63 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.936 0.773 . . . . 0.0 112.287 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.42 47.13 24.46 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.195 178.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.4 -51.47 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.743 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.605 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 82.1 p -94.61 124.34 38.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 117.169 0.485 . . . . 0.0 110.414 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.621 ' H ' ' CD ' ' A' ' 70' ' ' ARG . 16.6 mt-10 -111.13 91.51 3.69 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.605 ' CD1' ' HB ' ' A' ' 51' ' ' THR . 10.9 mp -103.38 127.05 50.84 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.048 -172.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 7.3 m -107.94 112.3 24.82 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.77 166.37 39.02 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 118.985 -1.579 . . . . 0.0 114.163 -173.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 15.2 t -110.53 143.78 40.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.189 -0.506 . . . . 0.0 110.113 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 24.0 t-105 -119.82 135.61 54.79 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.5 p -134.79 137.21 43.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.918 0.389 . . . . 0.0 110.89 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.438 ' HE2' HD23 ' A' ' 64' ' ' LEU . 50.0 ttm -104.24 116.49 32.27 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 172.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -103.51 102.83 12.74 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.75 -112.24 4.62 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.267 -173.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -114.43 52.96 0.81 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.523 0.678 . . . . 0.0 109.294 172.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 10.6 mptt -138.26 138.02 38.04 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.067 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.438 HD23 ' HE2' ' A' ' 59' ' ' MET . 46.7 mt -110.83 104.86 13.52 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.769 -177.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.51 140.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.022 -174.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -166.65 -159.63 12.63 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.773 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.653 ' HB2' ' HZ2' ' A' ' 67' ' ' LYS . 4.8 ttmp? -165.07 114.75 1.09 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.644 ' H ' HG12 ' A' ' 78' ' ' ILE . 12.5 m-85 -125.11 146.08 49.64 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.144 0.497 . . . . 0.0 110.779 -177.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 34.4 ttmt -110.47 125.45 53.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.626 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.644 ' CZ ' ' HB2' ' A' ' 72' ' ' ASP . 14.5 tpt180 -124.91 105.27 9.1 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.426 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 8.7 p -64.06 -34.34 68.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -173.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.644 ' HB2' ' CZ ' ' A' ' 70' ' ' ARG . 41.7 t0 -56.79 -42.68 79.89 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.739 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -83.83 -54.15 5.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.712 0.292 . . . . 0.0 111.737 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -178.76 39.23 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.0 pttt 47.15 35.63 3.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.5 1.12 . . . . 0.0 112.529 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -159.7 134.75 8.06 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.486 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 4.8 tt -168.42 104.82 0.45 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.644 HG12 ' H ' ' A' ' 68' ' ' PHE . 20.4 mt -119.09 165.63 14.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.371 -173.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -137.04 114.83 11.29 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.448 HG22 HG23 ' A' ' 78' ' ' ILE . 60.5 t -133.69 128.59 54.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.213 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.698 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 20.9 tpt180 -165.08 148.82 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.052 0.453 . . . . 0.0 111.897 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 63' ' ' LYS . 1.0 OUTLIER -104.47 165.96 10.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.796 174.748 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.6 mm -101.74 120.9 52.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.2 t -110.81 128.56 55.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.55 -123.4 32.63 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -172.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -130.71 95.08 3.76 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 118.984 -1.086 . . . . 0.0 109.247 162.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -171.26 153.25 3.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.283 -1.326 . . . . 0.0 107.77 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.1 tp -117.72 126.36 52.32 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.394 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.698 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.3 mp -104.3 147.73 9.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 170.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 50.6 tt0 -124.16 115.09 20.54 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.783 -174.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 99' ' ' ALA . 0.2 OUTLIER -110.22 132.81 53.84 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.623 -178.312 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . 0.429 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 3.3 m-85 -101.33 118.28 36.65 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 169.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER -100.8 129.5 46.69 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.985 -168.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -165.76 149.54 8.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.276 -172.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 48.9 48.18 20.73 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.659 ' O ' HG11 ' A' ' 97' ' ' VAL . . . 119.44 -108.61 1.54 Allowed Glycine 0 N--CA 1.43 -1.707 0 CA-C-N 113.834 -1.53 . . . . 0.0 110.646 -166.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.659 HG11 ' O ' ' A' ' 96' ' ' GLY . 2.1 m -171.16 89.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 117.449 -1.262 . . . . 0.0 111.706 176.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -179.47 130.66 0.1 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 162.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.623 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -169.81 102.76 0.31 Allowed 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 114.068 -1.424 . . . . 0.0 107.327 164.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 12.4 pttt -126.46 139.1 53.5 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -164.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -124.89 144.16 50.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 113.565 -1.652 . . . . 0.0 107.694 171.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 55.4 mt -101.94 126.25 55.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.285 0.564 . . . . 0.0 111.388 -172.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.578 ' HD1' HG21 ' A' ' 8' ' ' VAL . 53.7 m-85 -120.97 166.52 13.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.465 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -143.62 154.77 43.89 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.423 -175.493 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -61.56 126.28 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.018 0.437 . . . . 0.0 110.433 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.332 176.09 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.959 ' HA3' ' HB ' ' A' ' 16' ' ' THR . . . . . . . . 0 C--O 1.182 -3.107 0 CA-C-O 118.627 -1.096 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p -103.45 122.11 44.21 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 117.771 -3.194 . . . . 0.0 114.916 -169.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.702 ' NE1' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -132.42 113.51 13.23 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 164.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.558 ' CD ' ' HB2' ' A' ' 13' ' ' LEU . 11.2 tptm -168.74 169.84 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 119.398 0.999 . . . . 0.0 112.697 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.26 144.29 12.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.067 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.96 126.81 10.48 Favored Glycine 0 C--N 1.332 0.309 0 O-C-N 123.539 0.525 . . . . 0.0 113.465 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.67 -32.29 6.31 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 -175.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 mt -118.44 165.77 13.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -133.47 146.91 51.57 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.82 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 2.1 tt -148.96 121.03 8.26 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.926 ' HA ' ' O ' ' A' ' 4' ' ' GLY . 28.8 m -104.91 121.05 42.9 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.453 -175.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.702 HG21 ' NE1' ' A' ' 6' ' ' TRP . 29.9 mt -158.58 104.9 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.475 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.959 ' HB ' ' HA3' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -175.34 109.79 0.11 Allowed 'General case' 0 N--CA 1.434 -1.267 0 O-C-N 121.174 -0.954 . . . . 0.0 110.329 169.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.886 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 5.7 tp-100 -103.53 158.35 16.42 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 120.685 -1.26 . . . . 0.0 113.969 -172.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.5 pp20? -54.84 -39.3 68.45 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.255 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.76 -53.7 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -148.77 94.02 2.21 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 172.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.886 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 34.7 mttm -169.47 129.73 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 174.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.651 ' HD1' ' O ' ' A' ' 21' ' ' LYS . 13.0 m-30 -121.82 103.66 9.02 Favored 'General case' 0 C--N 1.286 -2.177 0 O-C-N 119.696 -1.877 . . . . 0.0 112.192 -165.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 2.3 m -110.05 113.45 26.17 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.903 -1.044 . . . . 0.0 108.939 167.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.59 ' HA ' ' O ' ' A' ' 14' ' ' THR . 93.4 t -103.79 122.03 56.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.82 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 38.7 tttp -101.93 111.19 23.37 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.522 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.414 ' C ' ' HG ' ' A' ' 27' ' ' SER . 9.6 tp10 -104.34 143.66 32.68 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.265 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.414 ' HG ' ' C ' ' A' ' 26' ' ' GLU . 22.9 m -155.7 136.34 13.38 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.978 -175.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 49.3 m -158.06 134.8 9.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.52 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 64.71 -71.07 0.08 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.584 0.754 . . . . 0.0 112.412 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -160.68 47.66 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.603 0.716 . . . . 0.0 110.193 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 28' ' ' SER . 7.7 ptm180 -146.0 146.83 31.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.337 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -152.01 125.41 8.8 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 tp -150.83 132.37 5.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.022 -172.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 1.4 m-20 -104.12 124.78 49.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.57 HG23 HD11 ' A' ' 47' ' ' LEU . 5.0 t -104.66 117.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 175.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.32 128.51 60.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.107 0.479 . . . . 0.0 111.143 -177.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.44 ' HZ ' HG21 ' A' ' 24' ' ' VAL . 11.4 p90 -159.19 151.86 21.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.797 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB2' HG21 ' A' ' 41' ' ' VAL . 46.8 mt-10 -107.87 159.61 16.39 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.784 ' H ' HD11 ' A' ' 39' ' ' LEU . 5.0 mp -66.11 128.21 35.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -175.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.17 36.2 28.23 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.839 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 56' ' ' THR . 64.4 t -124.18 132.96 70.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.487 0.184 . . . . 0.0 110.636 178.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -103.46 137.38 41.63 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 174.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -155.39 145.05 21.27 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.958 0.409 . . . . 0.0 111.286 -173.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.639 ' HB3' HG23 ' A' ' 54' ' ' THR . . . -111.88 130.32 55.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -163.12 154.7 17.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.276 -174.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.444 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 29.6 t -101.86 125.72 48.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.21 175.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.57 HD11 HG23 ' A' ' 35' ' ' VAL . 74.5 mt -111.08 129.81 55.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.371 -175.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.5 36.63 26.16 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 124.029 0.831 . . . . 0.0 112.08 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 54.24 48.64 20.39 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.507 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.73 -84.66 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.046 -1.073 . . . . 0.0 112.723 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.53 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 68.0 p -64.26 127.52 31.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.597 0.237 . . . . 0.0 110.838 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.444 ' HG2' ' HB2' ' A' ' 46' ' ' SER . 54.8 mt-10 -115.58 95.28 5.07 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.589 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 11.2 mp -104.33 123.53 47.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.453 -172.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 44' ' ' ALA . 7.8 m -104.08 106.53 17.07 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 174.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -159.79 165.3 34.56 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 118.456 -1.83 . . . . 0.0 114.933 -172.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 10.9 t -118.98 144.28 46.58 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.508 -0.846 . . . . 0.0 109.64 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.431 ' CE3' ' HE1' ' A' ' 68' ' ' PHE . 65.9 t-105 -124.26 138.64 54.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.327 -174.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.3 p -142.43 132.01 23.88 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.706 0.289 . . . . 0.0 110.575 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.475 ' HE1' ' HA ' ' A' ' 62' ' ' ASN . 26.0 ttt -105.01 115.44 30.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -104.15 104.56 14.5 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.94 -120.45 16.36 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.309 -0.948 . . . . 0.0 110.733 -170.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.475 ' HA ' ' HE1' ' A' ' 59' ' ' MET . 16.6 p30 -110.76 36.38 3.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.133 0.492 . . . . 0.0 109.993 173.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.55 135.9 54.95 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.849 177.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 81' ' ' ARG . 40.0 mt -114.53 111.86 22.04 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.303 -176.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.2 t -141.28 134.52 30.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.847 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.34 -148.37 5.37 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.569 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.483 ' HA ' HG12 ' A' ' 78' ' ' ILE . 80.9 tttt -165.51 131.26 2.59 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 57.2 m-85 -131.52 141.89 49.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.883 0.373 . . . . 0.0 110.055 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 51.2 tttm -104.16 112.17 25.07 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.066 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.71 68.74 3.38 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.7 p -63.66 -24.47 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.744 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -49.17 -35.39 16.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.16 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -130.79 -41.11 1.18 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.579 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -131.39 -110.64 1.32 Allowed Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.476 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.49 ' HG2' ' CG ' ' A' ' 76' ' ' GLU . 15.7 ttpp -151.44 -38.31 0.12 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -171.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.535 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 46.3 mt-10 -150.15 123.39 8.93 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.978 -172.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 53.6 tp -130.66 113.08 13.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.955 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . 0.483 HG12 ' HA ' ' A' ' 67' ' ' LYS . 66.1 mt -119.23 132.2 69.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.08 -171.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.59 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -105.21 128.61 53.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 81.5 t -140.9 122.13 13.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 10.9 tpt180 -167.17 154.8 9.13 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 120.974 0.416 . . . . 0.0 111.912 175.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -104.57 158.2 16.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.879 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.519 HD13 HD11 ' A' ' 88' ' ' LEU . 8.0 mm -102.56 118.31 49.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 20.8 m -103.76 122.54 45.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.41 -120.1 19.47 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -172.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -129.96 96.51 4.22 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.371 163.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 84' ' ' SER . 25.7 pt-20 -168.4 151.42 5.48 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 174.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.519 HD11 HD13 ' A' ' 83' ' ' ILE . 34.9 tp -128.58 127.27 41.98 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.585 -0.846 . . . . 0.0 112.546 -176.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ILE . . . . . 0.625 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 56.6 mt -104.56 146.83 11.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 166.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.485 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.0 tp-100 -130.75 124.74 32.13 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.679 -175.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.59 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -112.6 124.67 53.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.792 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -103.93 109.33 21.05 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 29.8 m -102.33 106.92 17.78 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TYR . . . . . 0.535 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 8.9 t80 -112.26 118.07 34.28 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.253 -176.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 65.14 -60.54 0.24 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.193 0.933 . . . . 0.0 112.065 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.03 33.14 0.16 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.422 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.512 ' O ' ' HA ' ' A' ' 93' ' ' THR . 7.5 m -141.6 134.16 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 175.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -109.07 130.5 55.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.076 0.465 . . . . 0.0 111.22 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.53 121.21 35.99 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.473 176.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 11.0 pttm -113.71 146.38 39.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.264 0.554 . . . . 0.0 111.971 -176.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -140.9 139.25 34.33 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.4 mp -102.88 134.63 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.02 0.438 . . . . 0.0 111.527 -170.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -137.13 161.68 35.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.509 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 156.62 43.28 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 6' ' ' TRP . 62.7 tttm -70.12 141.93 52.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.707 0.289 . . . . 0.0 110.613 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.274 -0.87 . . . . 0.0 109.933 177.189 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.5 ' HB3' ' OD1' ' A' ' 3' ' ' ASP . . . . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.402 ' HZ ' HD13 ' A' ' 83' ' ' ILE . 0.6 OUTLIER -74.9 -22.67 58.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -171.478 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.805 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 12.5 p-10 -60.34 81.22 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 122.014 0.911 . . . . 0.0 111.216 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.49 170.18 41.52 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.267 -171.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.419 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 25.3 p -99.83 126.08 45.88 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.316 0.558 . . . . 0.0 110.304 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -127.49 100.35 5.98 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' CG ' ' HB2' ' A' ' 11' ' ' LEU . 1.7 tppp? -168.04 168.74 11.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.454 0.645 . . . . 0.0 111.521 -176.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 9' ' ' GLY . 96.0 t -100.17 143.03 14.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.18 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.424 ' N ' HG12 ' A' ' 8' ' ' VAL . . . -49.32 134.71 23.94 Favored Glycine 0 C--N 1.333 0.376 0 O-C-N 123.323 0.389 . . . . 0.0 113.415 -174.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.54 -35.56 4.96 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.618 HD23 ' HA ' ' A' ' 28' ' ' SER . 22.8 mt -110.24 168.91 9.09 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 175.249 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' HG2' ' HB2' ' A' ' 27' ' ' SER . 54.8 pttt -142.67 147.95 36.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.719 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 3.3 tt -152.83 137.56 16.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.0 m -148.6 126.74 12.1 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.038 0.447 . . . . 0.0 110.293 -172.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.805 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 5.0 mp -108.52 148.17 12.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.503 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.7 m -155.72 146.89 22.52 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.597 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -142.53 125.69 16.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.406 0.622 . . . . 0.0 111.906 -176.174 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -94.08 87.74 5.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.342 173.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.95 -107.44 2.29 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -169.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.663 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 3.3 m120 -119.91 95.67 4.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 168.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.811 ' HD2' ' HG2' ' A' ' 38' ' ' GLU . 24.6 mmmt -167.7 103.84 0.5 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -104.12 122.17 44.75 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.684 -0.807 . . . . 0.0 111.431 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.498 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 15.2 t -113.86 138.99 49.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.304 176.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 82.3 t -117.53 127.76 74.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.147 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.719 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 83.1 tttt -101.93 107.23 18.32 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 4.8 tp10 -110.83 118.57 36.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.832 0.349 . . . . 0.0 111.753 -174.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB2' ' HG2' ' A' ' 12' ' ' LYS . 4.3 m -124.08 115.58 21.4 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 169.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.618 ' HA ' HD23 ' A' ' 11' ' ' LEU . 70.9 m -153.09 142.4 21.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.979 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.8 t30 67.23 -72.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.944 0.778 . . . . 0.0 111.718 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -171.75 47.66 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.006 0.431 . . . . 0.0 110.703 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.403 ' HG2' HH11 ' A' ' 31' ' ' ARG . 0.0 OUTLIER -166.08 132.82 2.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.876 174.608 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.473 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 11.3 t30 -109.21 125.54 52.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.625 176.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 tp -146.26 135.92 17.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.722 -175.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.57 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 2.8 m-20 -104.66 141.1 37.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.098 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.7 t -127.98 117.98 47.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 13.9 p -104.79 139.75 24.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.777 0.322 . . . . 0.0 110.401 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.514 ' HE2' HG23 ' A' ' 24' ' ' VAL . 28.5 p90 -151.36 145.95 25.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.267 0.556 . . . . 0.0 111.054 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.811 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 26.1 mt-10 -103.76 144.15 31.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.567 ' H ' HD12 ' A' ' 39' ' ' LEU . 7.0 mp -63.02 112.27 2.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.116 0.484 . . . . 0.0 111.488 -173.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.57 37.59 34.8 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.758 179.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.0 t -126.32 145.62 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.709 0.29 . . . . 0.0 110.533 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.581 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.8 p30 -101.78 138.64 38.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.167 -178.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 38.0 p90 -157.97 149.94 21.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.135 -173.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -113.97 142.0 46.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.799 178.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.487 ' CE1' ' HG ' ' A' ' 47' ' ' LEU . 45.7 p90 -157.86 149.77 21.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.866 0.365 . . . . 0.0 110.819 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.1 t -105.3 126.2 51.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.576 173.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.571 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 36.8 mt -104.8 124.11 48.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.458 177.066 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.65 34.52 23.43 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.877 0.736 . . . . 0.0 111.565 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.3 t70 50.38 49.97 19.65 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.335 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.67 -56.0 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.938 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.571 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 58.3 p -90.38 114.35 26.44 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 122.219 -0.577 . . . . 0.0 109.742 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -110.42 95.44 5.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.534 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 9.0 mp -103.84 123.96 48.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.367 -173.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.405 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 15.9 m -106.0 117.13 33.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.46 ' HA3' ' O ' ' A' ' 67' ' ' LYS . . . -167.33 165.66 38.76 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 119.179 -1.486 . . . . 0.0 114.065 -177.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.581 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 9.9 t -104.31 138.53 40.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.261 176.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.753 ' HE1' HD23 ' A' ' 64' ' ' LEU . 23.5 t-105 -117.82 126.08 51.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.623 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 68.5 p -114.58 135.12 54.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.3 ttt -117.08 124.43 49.22 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.583 0.706 . . . . 0.0 110.951 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' CB ' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -101.19 153.82 19.28 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 165.528 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -36.67 -36.79 0.18 Allowed Glycine 0 N--CA 1.463 0.454 0 O-C-N 123.89 0.744 . . . . 0.0 114.289 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -138.4 36.53 2.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.944 0.402 . . . . 0.0 110.613 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 60' ' ' GLU . 30.5 mmmt -143.81 123.54 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.753 HD23 ' HE1' ' A' ' 57' ' ' TRP . 86.0 mt -113.16 113.01 24.76 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.2 t -139.56 138.03 39.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.249 -175.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.62 -158.02 8.91 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.159 -1.02 . . . . 0.0 112.188 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.46 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 45.0 tttp -165.63 123.49 1.54 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.439 ' CE1' ' HE3' ' A' ' 57' ' ' TRP . 42.8 m-85 -132.03 144.42 50.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.213 0.53 . . . . 0.0 111.035 -175.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.534 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 77.8 tttt -110.76 123.64 50.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.309 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 51' ' ' THR . 6.8 ttt180 -118.48 100.41 7.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.5 m -62.03 -33.01 56.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -79.38 40.8 0.44 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -171.38 -62.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.467 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.441 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . -167.08 34.05 0.21 Allowed Glycine 0 CA--C 1.509 -0.333 0 C-N-CA 120.14 -1.028 . . . . 0.0 112.364 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 23.4 pttp 43.02 21.39 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.488 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 23.3 mt-10 -164.81 104.3 0.8 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.704 0.684 . . . . 0.0 111.919 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 64.0 tp -134.64 119.58 18.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.836 169.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.459 HG12 ' HA ' ' A' ' 67' ' ' LYS . 71.9 mt -123.52 139.02 51.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.491 -171.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.583 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -110.3 125.9 53.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.2 t -140.53 131.75 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.922 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.718 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 16.5 tpt180 -166.08 144.78 5.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -104.63 162.46 13.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.682 172.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.402 HD13 ' HZ ' ' A' ' 2' ' ' PHE . 13.6 mm -102.28 121.83 53.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -178.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.64 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -114.03 120.44 40.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.396 0.141 . . . . 0.0 110.813 -179.427 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.43 -130.47 51.04 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -112.6 95.04 5.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.196 167.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.64 ' HG2' ' O ' ' A' ' 84' ' ' SER . 22.4 pt-20 -170.29 165.64 8.87 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.446 175.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.5 tp -139.39 127.53 22.49 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.653 170.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.718 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 30.9 mm -105.22 162.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 172.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.462 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.4 tp-100 -142.81 115.27 8.51 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.199 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.583 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -108.58 124.8 51.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -177.028 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -104.36 110.39 22.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 171.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.4 m -103.04 115.4 30.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.088 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.488 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 41.4 t80 -120.46 124.65 45.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.995 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 66.77 -69.4 0.13 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.013 0.82 . . . . 0.0 111.063 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.93 32.76 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.84 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 15.7 t -129.81 131.01 66.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -104.75 123.52 47.79 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.672 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.51 132.5 54.35 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 22.5 pttp -140.77 137.33 33.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.263 0.554 . . . . 0.0 111.864 -173.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.416 ' O ' HG21 ' A' ' 89' ' ' ILE . 45.3 ttt85 -104.85 146.86 28.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.129 174.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 102' ' ' ILE . 3.0 mp -103.17 129.65 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.912 -173.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -135.38 165.84 24.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -141.21 159.45 42.19 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.081 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -56.9 134.66 55.64 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.383 179.512 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.44 -105.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.903 -0.135 . . . . 0.0 111.068 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.0 t70 60.47 59.67 2.18 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.724 0.774 . . . . 0.0 109.14 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.0 167.27 39.14 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.225 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.498 HG21 ' OG1' ' A' ' 14' ' ' THR . 57.0 p -101.68 128.51 47.95 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.452 ' HA ' ' H ' ' A' ' 106' ' ' GLU . 7.9 m0 -131.38 100.75 5.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.812 ' HE2' HD11 ' A' ' 11' ' ' LEU . 13.0 tptm -168.49 166.99 11.97 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.626 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.431 ' O ' HD13 ' A' ' 11' ' ' LEU . 39.7 t -111.63 120.1 61.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.91 -124.35 36.39 Favored Glycine 0 CA--C 1.518 0.227 0 CA-C-N 115.794 -0.639 . . . . 0.0 114.626 168.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.07 -19.74 66.23 Favored Glycine 0 N--CA 1.454 -0.16 0 CA-C-N 115.1 -0.55 . . . . 0.0 114.037 -172.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.812 HD11 ' HE2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -102.6 149.1 24.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 117.064 0.432 . . . . 0.0 110.039 177.754 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -130.66 154.95 47.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.885 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.566 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 1.5 tt -156.16 134.86 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -175.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.498 ' OG1' HG21 ' A' ' 5' ' ' THR . 11.3 m -142.72 128.07 18.84 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.505 ' HA ' ' O ' ' A' ' 23' ' ' THR . 47.0 mt -116.13 104.83 17.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -106.1 148.11 28.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.507 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.589 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -148.82 133.81 18.13 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.136 0.493 . . . . 0.0 111.487 179.149 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -108.09 93.04 4.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.219 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.63 -101.0 1.13 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.118 -171.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.407 HD21 ' HA ' ' A' ' 20' ' ' ASN . 3.3 m120 -123.77 94.51 4.26 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.568 0.699 . . . . 0.0 109.251 170.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 24.8 ttmm -171.7 103.2 0.19 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 174.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -104.34 134.42 47.59 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.255 0.55 . . . . 0.0 111.381 -173.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.626 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.2 t -128.43 130.18 47.24 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.576 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.907 ' HB ' HG12 ' A' ' 35' ' ' VAL . 72.2 t -106.95 132.65 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 56.3 tttp -101.46 111.03 23.14 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.81 143.51 32.72 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.1 -177.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.2 m -155.16 132.17 10.83 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.65 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.6 m -160.26 121.94 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.576 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 m120 65.02 -68.79 0.1 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -162.75 56.68 0.21 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.169 0.509 . . . . 0.0 111.565 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.17 144.27 8.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 172.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -132.39 126.54 33.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.138 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.0 tt -153.49 141.54 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.895 0.379 . . . . 0.0 111.795 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.68 141.65 36.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.177 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.907 HG12 ' HB ' ' A' ' 24' ' ' VAL . 8.4 p -108.75 130.3 61.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 p -120.58 134.43 64.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.653 -177.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.591 ' HE2' HG11 ' A' ' 35' ' ' VAL . 17.4 p90 -161.0 142.48 11.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.405 0.622 . . . . 0.0 111.495 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -104.11 148.15 26.6 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.468 176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -61.61 119.94 9.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -174.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.58 38.15 28.93 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.684 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 56' ' ' THR . 97.2 t -124.98 133.76 68.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.861 0.362 . . . . 0.0 110.528 178.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -103.8 130.5 51.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 43.2 p90 -157.16 159.53 37.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.818 0.342 . . . . 0.0 111.38 -172.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.487 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -103.86 136.11 44.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.455 175.049 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -146.33 131.88 18.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.081 0.467 . . . . 0.0 110.825 -174.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.7 t -102.83 123.27 46.17 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.665 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 5.5 mp -108.71 124.09 50.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.379 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.29 33.61 18.68 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.919 0.762 . . . . 0.0 111.569 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 52.34 39.73 27.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.085 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.99 -69.79 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.589 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.665 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 30.7 p -73.27 126.37 29.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.013 0.406 . . . . 0.0 110.121 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -119.08 90.87 3.42 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.59 124.21 48.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.109 -174.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.487 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 4.2 m -112.85 110.57 20.76 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.562 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.34 166.36 38.8 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 118.894 -1.622 . . . . 0.0 114.166 -172.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 9.3 t -105.06 144.23 32.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.193 -0.503 . . . . 0.0 110.336 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.445 ' HE3' ' CE1' ' A' ' 68' ' ' PHE . 42.5 t-105 -125.57 138.12 53.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.372 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.5 p -136.46 131.85 34.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.715 0.293 . . . . 0.0 110.898 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.454 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 26.8 ttt -115.69 107.0 14.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 173.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -103.66 104.48 14.53 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.65 -121.96 11.55 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.105 -171.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -108.44 43.89 1.18 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.202 0.525 . . . . 0.0 109.815 174.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.454 ' O ' ' HA ' ' A' ' 59' ' ' MET . 4.7 mptp? -126.02 124.36 40.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.589 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.429 ' C ' HG22 ' A' ' 65' ' ' VAL . 50.0 mt -110.64 105.75 14.76 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.051 -177.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.429 HG22 ' C ' ' A' ' 64' ' ' LEU . 26.1 t -141.31 140.88 31.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.374 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.51 -150.13 6.95 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' HA ' HG21 ' A' ' 78' ' ' ILE . 23.9 ttmm -163.96 124.64 2.19 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.562 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 10.1 m-85 -123.5 141.96 51.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.071 0.462 . . . . 0.0 110.273 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.5 ttmt -103.13 107.08 17.75 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.154 -175.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.497 ' NE ' ' HA ' ' A' ' 51' ' ' THR . 13.7 tpt180 -86.09 75.41 9.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.505 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.0 m -61.22 -35.33 65.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.419 -175.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.61 -43.59 80.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.743 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -95.67 -44.46 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.574 -175.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.1 -77.3 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.197 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 12.5 pttp -168.29 -26.68 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.51 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 35.1 mt-10 -149.59 117.87 6.43 Favored 'General case' 0 CA--C 1.508 -0.659 0 O-C-N 121.58 -0.7 . . . . 0.0 111.605 -175.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 62.1 tp -128.67 104.62 7.75 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.418 HG21 ' HA ' ' A' ' 67' ' ' LYS . 14.6 mt -114.29 149.14 16.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.842 -169.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.557 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -124.85 119.48 28.97 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 173.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.4 t -136.06 124.29 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.407 -175.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 12.8 tpt180 -166.01 154.43 10.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.026 0.441 . . . . 0.0 111.67 177.557 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -109.74 163.09 13.83 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.394 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.9 mm -101.11 124.98 55.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -114.64 128.08 56.12 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.66 -114.22 5.4 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -175.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -138.36 93.39 2.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.384 1.088 . . . . 0.0 109.928 162.196 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -170.53 141.48 1.93 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 113.846 -1.524 . . . . 0.0 107.975 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.2 tp -112.71 125.09 53.93 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.213 0.53 . . . . 0.0 111.096 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.614 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.2 mp -104.28 147.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 170.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.471 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 3.6 tp-100 -130.79 118.4 20.77 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.663 -176.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.557 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -105.11 126.23 51.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.642 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.59 110.97 23.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.553 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.573 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 6.8 m -105.28 104.43 14.16 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.323 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.51 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 19.3 t80 -104.65 115.84 31.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.745 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 65.6 -62.77 0.22 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.009 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.73 35.34 0.25 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.565 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.573 ' O ' ' HA ' ' A' ' 93' ' ' THR . 18.8 m -141.96 140.01 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -122.61 142.11 51.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.395 0.617 . . . . 0.0 111.56 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.76 129.05 19.92 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 58.7 pttt -122.09 140.43 52.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.217 0.532 . . . . 0.0 111.974 -172.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -116.8 140.37 49.51 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 66.1 mt -102.3 126.19 56.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.077 0.465 . . . . 0.0 111.45 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.5 166.32 17.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.448 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.27 165.32 23.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.413 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.26 127.91 33.53 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.452 ' H ' ' HA ' ' A' ' 6' ' ' TRP . 6.0 tp10 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.769 -0.634 . . . . 0.0 110.101 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.565 0.221 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.622 ' HZ ' HD13 ' A' ' 83' ' ' ILE . 65.7 m-85 -88.74 -114.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.813 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.1 t70 56.28 55.7 6.44 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.66 0.743 . . . . 0.0 109.703 -174.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.81 167.44 39.13 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.381 -173.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.445 ' C ' ' HD1' ' A' ' 6' ' ' TRP . 61.2 p -100.95 124.6 46.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.01 0.434 . . . . 0.0 110.055 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.445 ' HD1' ' C ' ' A' ' 5' ' ' THR . 5.9 m0 -127.18 103.91 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -176.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.583 ' HE2' HD12 ' A' ' 11' ' ' LEU . 14.3 tptm -166.95 169.65 12.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.286 0.565 . . . . 0.0 112.433 -175.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 65.8 t -100.24 145.67 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.242 179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.86 135.24 15.74 Favored Glycine 0 C--N 1.334 0.437 0 O-C-N 123.582 0.551 . . . . 0.0 113.709 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.37 -36.92 3.88 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -175.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.583 HD12 ' HE2' ' A' ' 7' ' ' LYS . 12.5 mt -105.6 164.3 12.01 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -140.08 148.88 42.39 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.663 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 3.4 tt -153.97 132.4 12.04 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.469 ' N ' HD23 ' A' ' 13' ' ' LEU . 5.7 m -140.19 126.96 20.53 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -175.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.448 ' HA ' ' O ' ' A' ' 23' ' ' THR . 59.4 mt -117.81 121.11 66.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -122.7 144.18 49.31 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.12 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.725 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -144.03 137.62 27.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.932 0.396 . . . . 0.0 111.722 179.388 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -85.44 -134.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.29 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.04 94.84 Favored Glycine 0 C--N 1.335 0.498 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 171.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -163.17 96.67 0.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.128 -1.036 . . . . 0.0 108.378 167.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.725 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 25.8 mttp -169.89 105.55 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.482 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.404 ' CD1' HD11 ' A' ' 39' ' ' LEU . 3.9 m-85 -104.22 135.37 45.81 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.465 -175.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 15.0 t -135.2 137.65 42.85 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.506 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 97.8 t -119.48 127.4 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.183 -176.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.663 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 87.5 tttt -102.24 111.44 23.72 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.413 ' C ' ' HG ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -104.0 141.43 36.2 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.418 -176.427 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 38.9 m -158.3 114.2 2.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 176.245 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.583 ' HA ' HD22 ' A' ' 11' ' ' LEU . 39.8 m -151.48 115.07 4.86 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.43 -176.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m120 67.11 -54.46 0.46 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.051 0.94 . . . . 0.0 112.593 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.03 49.36 0.4 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.448 0.642 . . . . 0.0 109.331 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.476 ' O ' ' HA ' ' A' ' 27' ' ' SER . 3.5 mtp180 -140.05 142.51 36.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.611 -172.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -156.32 103.36 2.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.365 -0.834 . . . . 0.0 108.824 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.451 HG22 HD13 ' A' ' 33' ' ' ILE . 4.3 tt -161.14 139.14 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.369 -171.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.457 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 2.8 m-20 -109.8 141.63 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.5 t -116.11 117.72 56.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 p -111.94 134.66 53.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.628 0.252 . . . . 0.0 110.556 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -159.96 145.44 15.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.394 0.616 . . . . 0.0 111.392 -173.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.729 ' H ' ' HZ ' ' A' ' 43' ' ' PHE . 55.3 mt-10 -104.43 144.06 32.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.293 175.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.738 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.3 mp -59.86 125.41 23.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.363 -173.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.09 38.59 54.93 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.982 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.4 t -131.38 148.88 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.44 136.02 43.02 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.729 ' HZ ' ' H ' ' A' ' 38' ' ' GLU . 35.1 m-85 -131.24 149.03 52.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -139.7 107.68 5.71 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -158.54 168.37 27.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.049 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.511 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 15.0 t -99.95 123.07 43.8 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.709 0.766 . . . . 0.0 110.268 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.418 HD21 HD11 ' A' ' 33' ' ' ILE . 81.2 mt -103.79 137.91 41.13 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.047 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.87 30.47 15.94 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.596 0.56 . . . . 0.0 111.608 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 54.59 44.16 29.1 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.844 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.13 -57.51 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.295 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.481 HG23 ' CZ ' ' A' ' 70' ' ' ARG . 44.6 p -74.33 116.3 14.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.125 0.462 . . . . 0.0 109.858 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.511 ' HG2' ' HB2' ' A' ' 46' ' ' SER . 90.9 mt-10 -106.26 97.93 7.67 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.544 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 10.7 mp -104.3 129.11 52.17 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.84 -171.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 10.2 m -111.27 111.35 22.35 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 171.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.573 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -167.19 165.23 38.46 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.429 -1.367 . . . . 0.0 113.552 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.8 t -110.28 144.66 38.65 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.512 -0.344 . . . . 0.0 110.484 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.505 ' CE3' ' HA3' ' A' ' 66' ' ' GLY . 29.8 t-105 -114.02 136.22 53.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.768 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.4 p -138.2 135.49 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.642 0.258 . . . . 0.0 110.514 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.454 ' HE1' ' O ' ' A' ' 61' ' ' GLY . 25.1 ttt -107.43 113.41 26.74 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -103.53 104.67 14.76 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.454 ' O ' ' HE1' ' A' ' 59' ' ' MET . . . 63.95 -118.5 13.34 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.105 -173.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -107.34 40.32 1.71 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.036 0.446 . . . . 0.0 110.315 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.436 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -120.85 131.22 54.29 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.892 176.205 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 71.1 mt -110.72 111.92 23.44 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.902 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.447 ' HA ' HG13 ' A' ' 80' ' ' VAL . 77.2 t -132.81 123.19 48.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.79 -174.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.505 ' HA3' ' CE3' ' A' ' 57' ' ' TRP . . . -142.04 122.0 1.92 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 177.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.44 ' HA ' HG12 ' A' ' 78' ' ' ILE . 86.7 tttt -105.92 104.73 14.5 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.573 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 7.1 m-85 -114.9 148.5 38.56 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.572 -175.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.544 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 9.5 ttpp -103.73 114.69 29.14 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.456 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.65 ' HD2' ' H ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -85.72 71.21 10.72 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 174.773 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 p -54.48 -24.79 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.52 -173.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -57.43 -31.18 65.63 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.791 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -171.06 -39.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.65 ' H ' ' HD2' ' A' ' 70' ' ' ARG . . . -83.59 -23.27 54.12 Favored Glycine 0 CA--C 1.507 -0.409 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.966 -169.259 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? 73.84 -43.59 0.55 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.446 0.698 . . . . 0.0 112.081 -177.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.521 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 51.9 mt-10 -150.87 109.25 3.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.082 -0.386 . . . . 0.0 110.9 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD11 ' CD1' ' A' ' 94' ' ' TYR . 58.5 tp -116.32 104.87 11.92 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.491 173.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.487 HG22 ' O ' ' A' ' 66' ' ' GLY . 68.8 mt -108.57 124.23 64.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.454 -174.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -104.06 124.82 49.74 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.447 HG13 ' HA ' ' A' ' 65' ' ' VAL . 2.2 m -145.06 130.64 13.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.405 -172.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.741 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 22.7 tpt180 -166.65 151.94 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 172.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -103.68 163.47 12.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.169 172.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.622 HD13 ' HZ ' ' A' ' 2' ' ' PHE . 14.2 mm -102.05 125.21 56.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.632 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 13.0 m -103.44 108.73 20.09 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.95 -119.85 18.8 Favored Glycine 0 C--N 1.333 0.401 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -171.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -123.15 95.97 4.82 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.247 165.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.632 ' HG2' ' O ' ' A' ' 84' ' ' SER . 16.6 pt-20 -170.21 148.92 3.38 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.6 tp -122.38 123.56 41.65 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 119.564 -0.855 . . . . 0.0 111.675 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.741 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 3.7 mp -104.67 155.92 6.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 167.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 3.8 tp-100 -135.19 115.72 13.68 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 118.823 0.738 . . . . 0.0 110.56 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 1.3 m -106.17 127.89 53.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -104.0 114.61 28.98 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.175 170.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.495 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 25.6 m -99.26 103.47 15.32 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 174.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.521 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -111.5 122.35 47.61 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.682 -171.182 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 67.91 -62.83 0.34 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.978 0.799 . . . . 0.0 111.049 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.16 25.98 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.278 -0.487 . . . . 0.0 112.065 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.495 ' O ' ' HA ' ' A' ' 93' ' ' THR . 15.6 m -133.01 139.57 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.67 0.272 . . . . 0.0 110.608 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.2 134.14 49.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.164 0.506 . . . . 0.0 111.348 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.15 129.67 32.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 53.4 pttt -132.8 142.1 48.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.387 0.613 . . . . 0.0 112.173 -172.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -120.0 143.11 48.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.804 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.9 tt -101.98 134.2 43.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.537 0.684 . . . . 0.0 111.869 -173.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -135.18 166.76 22.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.776 179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 157.55 44.75 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.695 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -67.73 117.16 9.28 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.62 -177.583 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.774 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . . . . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 119.222 -0.418 . . . . 0.0 109.894 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -152.42 122.93 7.29 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 118.358 0.526 . . . . 0.0 110.436 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.0 t70 51.26 30.31 5.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.809 -172.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.82 167.77 40.63 Favored Glycine 0 N--CA 1.437 -1.254 0 CA-C-N 114.188 -1.369 . . . . 0.0 110.892 -173.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 82.7 p -100.96 123.43 45.14 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.774 ' CD1' ' HA ' ' A' ' 1' ' ' ALA . 3.1 m0 -128.46 104.09 7.5 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.498 ' CD ' ' HB2' ' A' ' 13' ' ' LEU . 10.1 tptm -166.64 169.49 13.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.149 0.499 . . . . 0.0 111.441 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -99.83 146.5 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.182 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.31 132.49 3.44 Favored Glycine 0 C--N 1.336 0.559 0 O-C-N 123.781 0.676 . . . . 0.0 114.186 -172.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.79 -34.71 5.14 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.762 HD21 ' HA ' ' A' ' 28' ' ' SER . 25.2 mt -104.9 165.69 10.9 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -143.77 148.9 36.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.606 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.71 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 1.2 tt -154.91 123.26 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.7 m -142.3 135.93 29.23 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.45 -177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.513 HG12 ' HA ' ' A' ' 24' ' ' VAL . 36.4 mt -129.47 127.86 65.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 175.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.0 m -113.34 132.06 55.73 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 173.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.8 pm0 -130.96 147.73 52.63 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.672 -170.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -135.51 95.53 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.057 0.456 . . . . 0.0 110.363 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.14 -68.89 1.67 Allowed Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.45 -174.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.427 ' HB2' HD22 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -162.11 97.52 1.03 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.929 0.871 . . . . 0.0 109.24 168.533 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 29.6 ttpt -169.55 104.82 0.35 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.436 ' CD1' HD23 ' A' ' 39' ' ' LEU . 3.9 m-85 -107.47 136.07 47.87 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.511 -172.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 14.8 t -129.43 129.15 44.3 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 173.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.667 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 57.7 t -103.89 126.88 58.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 -171.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.71 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 52.0 tttp -101.8 102.97 13.66 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 172.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -112.99 137.06 51.96 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.336 0.589 . . . . 0.0 111.055 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -151.77 117.92 5.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.965 178.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.762 ' HA ' HD21 ' A' ' 11' ' ' LEU . 70.9 m -153.68 144.38 22.57 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.6 m120 65.21 -77.46 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.96 0.788 . . . . 0.0 110.933 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -171.71 58.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.125 0.488 . . . . 0.0 111.039 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.427 ' HD2' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -157.47 138.35 13.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.777 173.328 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -118.41 134.11 55.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.554 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.3 tp -159.71 146.66 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.642 0.258 . . . . 0.0 111.06 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.667 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 24.5 p-10 -120.41 141.08 50.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 110.776 177.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.1 t -128.68 112.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.097 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.448 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 9.9 p -103.6 134.32 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.884 0.373 . . . . 0.0 110.5 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -153.99 150.17 27.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.865 -174.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -103.24 141.43 35.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.436 HD23 ' CD1' ' A' ' 22' ' ' PHE . 3.9 mm? -62.55 126.56 27.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.198 0.523 . . . . 0.0 111.429 -173.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.89 30.28 61.72 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.596 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.9 t -119.26 139.0 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 122.621 -0.341 . . . . 0.0 110.528 177.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -102.77 137.96 40.29 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -161.78 153.28 18.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.846 0.355 . . . . 0.0 111.019 -173.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.42 129.67 50.58 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.573 ' CE2' HD22 ' A' ' 47' ' ' LEU . 3.7 t80 -140.42 136.62 33.25 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.086 -173.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' A' ' 51' ' ' THR . 29.1 t -103.99 130.0 51.62 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.175 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.663 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 88.3 mt -117.0 135.1 53.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.623 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.73 29.93 14.71 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.43 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 50.93 40.43 25.14 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.265 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.88 -55.88 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.285 -0.96 . . . . 0.0 113.219 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.663 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 12.2 p -76.81 132.6 39.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.378 0.589 . . . . 0.0 109.759 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -124.05 97.54 5.39 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.554 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 9.3 mp -104.01 128.95 51.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.531 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 m -118.71 111.14 18.12 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.443 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.95 165.31 38.45 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 119.023 -1.56 . . . . 0.0 114.086 -174.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 t -104.67 143.64 32.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.278 -0.461 . . . . 0.0 109.832 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -123.55 137.87 54.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.757 -0.201 . . . . 0.0 110.933 -177.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.5 p -137.32 148.2 46.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 110.85 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.598 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.9 ttt -133.7 113.0 11.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 174.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -103.53 104.77 14.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.161 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.04 -79.52 0.1 Allowed Glycine 0 C--N 1.331 0.277 0 O-C-N 123.437 0.46 . . . . 0.0 112.608 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.453 ' HB2' ' HB ' ' A' ' 83' ' ' ILE . 10.9 p30 -144.5 41.12 1.34 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.51 0.671 . . . . 0.0 109.415 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.598 ' O ' ' HA ' ' A' ' 59' ' ' MET . 27.0 mmtp -124.93 117.12 23.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.953 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 75.3 mt -103.81 105.61 15.88 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.287 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 24.9 t -142.78 142.05 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.528 -172.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.02 -147.8 5.66 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.441 ' HA ' HG12 ' A' ' 78' ' ' ILE . 34.8 ttmt -166.05 117.7 1.05 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.443 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 9.3 m-85 -120.61 140.2 51.88 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.113 0.482 . . . . 0.0 110.575 -177.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.554 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 53.3 tttm -104.59 113.21 26.63 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.217 -175.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' CD ' HD13 ' A' ' 53' ' ' LEU . 13.4 tpt180 -95.91 74.72 3.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.648 -178.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.97 -38.9 83.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.933 -172.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -80.31 36.56 0.36 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.898 0.38 . . . . 0.0 111.709 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -166.16 -43.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.922 0.391 . . . . 0.0 110.345 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.03 -90.62 0.08 OUTLIER Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.635 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -170.62 -28.12 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 176.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.494 ' O ' ' HA ' ' A' ' 94' ' ' TYR . 40.6 mt-10 -145.53 115.19 7.26 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.704 -172.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.484 HD11 ' HB2' ' A' ' 94' ' ' TYR . 64.5 tp -132.28 105.07 7.09 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.047 173.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.441 HG12 ' HA ' ' A' ' 67' ' ' LYS . 51.5 mt -114.79 139.31 41.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.137 -171.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.536 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -107.23 127.77 53.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.423 ' HA ' ' O ' ' A' ' 64' ' ' LEU . 89.8 t -140.74 128.18 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.736 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 22.0 tpt180 -166.38 147.38 6.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.037 0.446 . . . . 0.0 112.107 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -104.59 150.15 24.9 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.354 173.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.453 ' HB ' ' HB2' ' A' ' 62' ' ' ASN . 4.7 mp -103.37 116.1 46.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.0 m -104.69 126.75 52.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.153 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.98 -120.42 21.59 Favored Glycine 0 C--N 1.334 0.442 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -129.38 97.84 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.057 0.932 . . . . 0.0 110.304 166.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 2.2 pp20? -170.57 166.57 8.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.632 175.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.0 tp -147.07 123.21 10.82 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.807 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.736 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 54.0 mt -103.38 159.67 4.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 168.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -136.53 121.47 18.8 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 121.757 -0.589 . . . . 0.0 110.723 -175.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.576 HG21 ' HB2' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -110.1 125.97 53.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.78 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -104.72 113.3 26.79 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 170.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.524 ' HA ' ' HA ' ' A' ' 98' ' ' GLU . 10.7 m -103.32 103.56 13.58 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.643 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.494 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 23.3 t80 -108.4 122.88 47.92 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.226 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 53.15 48.0 23.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.951 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.87 -11.47 53.51 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.802 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.1 t -102.82 119.02 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 117.538 0.669 . . . . 0.0 110.509 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.576 ' HB2' HG21 ' A' ' 91' ' ' THR . 15.5 pt-20 -104.96 134.54 47.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.347 0.594 . . . . 0.0 111.383 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.24 136.06 46.72 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -136.63 142.81 43.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.51 0.672 . . . . 0.0 112.519 -173.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -121.02 149.58 42.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.391 175.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.434 HG12 HG12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.96 134.32 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.42 0.628 . . . . 0.0 111.39 -172.454 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -131.06 166.4 21.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.791 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.98 165.3 30.26 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.714 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -58.2 127.92 34.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.194 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.134 179.655 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.464 ' HB1' ' H ' ' A' ' 2' ' ' PHE . . . . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.464 ' H ' ' HB1' ' A' ' 1' ' ' ALA . 22.6 m-85 -103.89 -105.39 0.29 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.288 -0.165 . . . . 0.0 110.593 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 t0 61.82 53.1 3.24 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.569 0.7 . . . . 0.0 109.786 -176.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.02 167.56 39.31 Favored Glycine 0 N--CA 1.442 -0.911 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.734 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 39.0 p -101.14 123.54 45.45 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 13.3 m0 -116.22 103.52 10.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.708 -176.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.628 ' HE2' ' HB2' ' A' ' 11' ' ' LEU . 6.6 mmmt -166.08 170.32 13.61 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.989 0.9 . . . . 0.0 113.219 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 49.4 t -99.27 143.03 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 113.563 -1.653 . . . . 0.0 108.023 172.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.87 126.06 6.75 Favored Glycine 0 C--N 1.331 0.295 0 O-C-N 123.682 0.614 . . . . 0.0 113.207 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.69 -49.84 0.9 Allowed Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 121.154 -0.546 . . . . 0.0 111.759 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.628 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -108.72 165.02 11.87 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.165 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -133.04 136.06 45.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.351 0.596 . . . . 0.0 110.864 175.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.68 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 4.5 tt -132.84 131.69 41.3 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.592 ' N ' HD22 ' A' ' 13' ' ' LEU . 6.5 m -135.82 125.84 26.03 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.983 0.42 . . . . 0.0 110.855 -174.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.505 HG12 ' HA ' ' A' ' 24' ' ' VAL . 65.5 mt -126.04 119.32 54.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.028 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 m -131.32 129.49 41.51 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.447 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.6 pm0 -112.58 134.89 53.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.309 0.576 . . . . 0.0 110.954 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -107.67 90.56 3.34 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.007 175.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.97 -106.59 2.31 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -168.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -124.32 98.55 5.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 37.7 tttm -169.8 105.21 0.34 Allowed 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -104.86 148.01 27.12 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.357 0.599 . . . . 0.0 111.392 -171.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.485 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.6 t -155.77 130.4 9.07 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.367 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.578 HG12 HD23 ' A' ' 13' ' ' LEU . 95.7 t -104.71 122.3 57.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.877 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.68 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 79.3 tttt -101.98 103.7 14.34 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -104.49 132.99 50.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.969 0.414 . . . . 0.0 110.356 -176.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.412 ' C ' ' HG ' ' A' ' 28' ' ' SER . 5.8 m -139.66 138.79 36.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.416 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.551 ' HA ' HD21 ' A' ' 11' ' ' LEU . 65.9 m -160.07 131.35 5.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.428 0.156 . . . . 0.0 110.959 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 m120 68.4 -64.42 0.3 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.974 0.796 . . . . 0.0 112.707 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -170.7 56.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.298 0.571 . . . . 0.0 110.135 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 28' ' ' SER . 24.3 ptt85 -166.03 165.09 18.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.203 -177.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.95 138.56 14.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.62 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.9 tt -155.13 133.35 2.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.564 -174.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.556 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 29.8 p-10 -106.09 137.85 43.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.475 0.655 . . . . 0.0 111.775 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.485 ' O ' ' HA ' ' A' ' 23' ' ' THR . 40.9 t -107.1 113.61 43.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.212 -0.904 . . . . 0.0 108.607 173.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.9 p -103.91 133.78 46.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.602 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.681 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -164.58 132.51 3.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.332 0.587 . . . . 0.0 111.203 -176.097 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -104.7 137.84 41.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.945 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.407 ' H ' ' CD1' ' A' ' 39' ' ' LEU . 5.9 mp -49.98 120.8 4.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.206 -171.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.11 36.28 90.15 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.688 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.9 t -130.3 145.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.3 p-10 -100.4 143.99 29.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.076 0.465 . . . . 0.0 109.801 -179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.501 ' O ' ' HA ' ' A' ' 54' ' ' THR . 22.1 p90 -148.77 149.04 30.7 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.875 -169.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.95 122.95 20.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.437 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -166.36 163.81 17.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.434 ' CB ' ' HG2' ' A' ' 52' ' ' GLU . 75.2 p -103.96 127.37 51.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.056 177.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.437 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 53.9 mt -103.62 126.51 50.81 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.412 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 53.28 31.87 12.54 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.025 0.828 . . . . 0.0 111.61 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 49.15 44.12 22.89 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.785 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.44 -57.04 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.379 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.523 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 58.4 p -95.69 123.48 39.27 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.557 -0.378 . . . . 0.0 110.098 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.434 ' HG2' ' CB ' ' A' ' 46' ' ' SER . 46.1 mt-10 -118.89 90.73 3.39 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.65 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.755 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 9.5 mp -103.24 120.36 40.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.203 0.525 . . . . 0.0 111.189 -173.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 10.6 m -104.17 111.58 24.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.342 172.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.523 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -165.98 166.74 38.84 Favored Glycine 0 N--CA 1.437 -1.296 0 C-N-CA 118.664 -1.731 . . . . 0.0 114.076 -172.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.75 136.85 39.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.03 -0.585 . . . . 0.0 109.547 177.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.923 ' HE1' HD22 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -128.45 157.75 40.25 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.525 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.1 p -120.68 141.49 50.36 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.155 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.642 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.4 ttt -111.03 118.17 35.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.354 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -139.72 123.45 17.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.647 178.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.28 44.51 94.99 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.942 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.7 m120 64.63 44.6 3.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.26 0.552 . . . . 0.0 110.734 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.642 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.7 OUTLIER -132.49 131.85 42.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.527 175.055 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.923 HD22 ' HE1' ' A' ' 57' ' ' TRP . 37.5 mt -114.7 103.23 10.78 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.414 -177.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.645 HG21 HG12 ' A' ' 80' ' ' VAL . 44.9 t -145.55 120.86 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.65 0.262 . . . . 0.0 111.283 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.693 ' HA3' ' HA ' ' A' ' 57' ' ' TRP . . . -143.05 -136.55 3.19 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.734 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.538 ' C ' ' HD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -160.75 116.49 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.512 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.749 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -123.89 142.6 50.99 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -174.103 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.755 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 3.6 ttmp? -106.8 125.44 51.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.942 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.95 80.29 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.12 -33.5 62.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.5 -38.02 73.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -106.6 -37.05 6.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.038 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -154.32 -105.85 0.26 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.15 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 26.9 ttpp -152.85 -30.61 0.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.492 -176.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.467 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 46.5 mt-10 -144.41 120.58 10.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.947 0.403 . . . . 0.0 111.532 -175.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.874 HD13 ' HB2' ' A' ' 94' ' ' TYR . 64.0 tp -135.39 103.99 5.69 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.8 mt -103.25 142.71 16.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.449 -166.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -102.25 117.15 34.15 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.645 HG12 HG21 ' A' ' 65' ' ' VAL . 96.1 t -136.91 125.94 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.26 -177.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.729 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 17.0 tpt180 -166.36 150.66 7.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.091 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -119.12 149.86 41.0 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 4.7 mp -102.43 124.71 56.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -176.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -118.47 130.91 56.21 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.7 -127.04 43.6 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -175.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.02 95.23 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.481 168.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 26.9 pt-20 -171.62 166.39 6.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 175.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.405 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 54.9 tp -152.14 128.49 10.6 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.799 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.729 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 17.0 mm -102.96 164.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 170.432 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -141.03 107.92 5.41 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.95 -0.469 . . . . 0.0 110.072 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.715 HG21 ' HE2' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -104.76 128.13 52.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.541 -175.297 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -103.85 111.76 24.43 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.459 170.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 98' ' ' GLU . 10.3 m -102.99 106.34 16.84 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.996 0.427 . . . . 0.0 110.017 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.874 ' HB2' HD13 ' A' ' 77' ' ' LEU . 32.0 t80 -103.59 124.55 49.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.208 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 64.32 -72.06 0.06 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 124.07 0.856 . . . . 0.0 111.542 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.68 24.59 0.26 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 94' ' ' TYR . 17.0 m -133.08 141.69 44.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.593 ' HB2' HG23 ' A' ' 91' ' ' THR . 11.3 pt-20 -118.91 126.04 50.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.512 0.672 . . . . 0.0 111.877 -175.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.29 133.63 52.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 173.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.715 ' HE2' HG21 ' A' ' 91' ' ' THR . 13.1 ptpt -128.22 139.41 52.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.746 0.784 . . . . 0.0 112.695 -172.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -105.46 139.32 40.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.458 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 68.2 mt -103.54 133.67 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.884 0.373 . . . . 0.0 111.575 -173.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.405 ' HB2' ' O ' ' A' ' 88' ' ' LEU . 68.1 m-85 -139.04 161.78 36.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.39 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.44 ' HD2' ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -153.06 153.08 32.13 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -60.69 127.17 30.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.617 0.246 . . . . 0.0 110.693 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.595 -0.716 . . . . 0.0 110.052 176.636 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -73.06 -111.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.372 -178.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.5 t0 60.67 56.21 3.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.355 0.597 . . . . 0.0 109.391 -173.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.74 167.43 36.5 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.712 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.434 ' C ' ' HD1' ' A' ' 6' ' ' TRP . 13.0 p -100.86 128.39 46.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.146 0.498 . . . . 0.0 110.607 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.434 ' HD1' ' C ' ' A' ' 5' ' ' THR . 12.2 m0 -127.63 103.82 7.53 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.627 ' CD ' ' HB2' ' A' ' 13' ' ' LEU . 22.0 tptt -166.19 166.88 16.65 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 t -103.52 142.25 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 113.644 -1.617 . . . . 0.0 108.409 170.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.1 141.45 20.53 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 121.667 -0.301 . . . . 0.0 113.679 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.18 -33.9 5.21 Favored Glycine 0 C--N 1.331 0.29 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.564 HD23 ' N ' ' A' ' 11' ' ' LEU . 0.2 OUTLIER -138.4 164.78 28.47 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 176.406 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.588 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 20.5 ptmt -140.05 150.99 45.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 118.594 0.634 . . . . 0.0 111.255 -177.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.824 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 1.4 tt -142.89 133.26 24.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.748 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 m -136.14 130.11 32.79 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.79 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -124.48 125.69 70.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.456 HG21 ' N ' ' A' ' 17' ' ' GLN . 31.0 m -135.92 146.97 47.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -177.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.498 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 2.8 pp0? -130.23 165.09 23.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.211 0.529 . . . . 0.0 111.453 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -147.15 78.3 1.48 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.994 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.69 -103.38 2.83 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -167.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -131.78 96.32 3.92 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 164.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 1.9 ttmp? -169.4 106.53 0.39 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.528 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 7.8 m-85 -108.04 130.69 55.06 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.067 -172.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -113.48 139.89 48.57 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 173.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.8 t -121.4 127.74 75.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.01 -173.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.824 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 17.3 tttm -103.06 104.38 14.55 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 178.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.44 166.68 10.28 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 174.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.422 ' CB ' ' HA ' ' A' ' 31' ' ' ARG . 71.1 m -156.58 114.08 3.2 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.067 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.493 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 18.9 m -148.25 103.58 3.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.594 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER 163.56 -72.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 105.515 -2.031 . . . . 0.0 105.515 -177.346 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.434 ' C ' ' HD2' ' A' ' 31' ' ' ARG . 60.9 m-85 -125.92 -57.98 1.41 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 103.876 -2.638 . . . . 0.0 103.876 157.622 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.576 ' HG2' ' O ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -170.41 99.92 0.26 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 113.072 -1.876 . . . . 0.0 109.697 166.769 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.632 ' O ' HG12 ' A' ' 33' ' ' ILE . 53.1 t30 -170.84 108.66 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.632 HG12 ' O ' ' A' ' 32' ' ' ASN . 2.3 mm -168.81 145.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.735 171.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.79 136.22 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.533 0.683 . . . . 0.0 111.285 172.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.454 HG13 ' OH ' ' A' ' 45' ' ' TYR . 58.8 t -127.79 116.63 43.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.183 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.7 p -112.1 132.9 59.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.678 0.275 . . . . 0.0 110.409 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.528 ' CE1' ' HB2' ' A' ' 22' ' ' PHE . 27.7 p90 -153.52 145.5 23.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.546 0.689 . . . . 0.0 111.787 -175.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.423 ' HB2' ' CG2' ' A' ' 41' ' ' VAL . 46.2 mt-10 -104.47 145.2 30.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.675 174.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 ' H ' HD13 ' A' ' 39' ' ' LEU . 10.3 mp -62.75 121.74 14.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.938 0.399 . . . . 0.0 110.809 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.99 39.54 45.86 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.682 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.497 ' O ' ' HA ' ' A' ' 56' ' ' THR . 55.3 t -130.96 138.66 53.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.488 ' N ' HG12 ' A' ' 41' ' ' VAL . 22.2 t70 -101.54 137.29 40.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.697 179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.455 ' O ' ' HA ' ' A' ' 54' ' ' THR . 32.3 p90 -155.36 165.21 37.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.232 -174.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.537 ' HB1' HG21 ' A' ' 54' ' ' THR . . . -146.99 130.99 17.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.276 -177.27 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.454 ' OH ' HG13 ' A' ' 35' ' ' VAL . 2.9 p90 -165.63 168.81 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.774 175.686 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -99.86 126.36 45.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.515 0.674 . . . . 0.0 110.08 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.8 mt -104.39 138.75 40.34 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.164 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 68.97 -68.22 0.19 Allowed 'General case' 0 C--O 1.234 0.264 0 O-C-N 124.452 1.095 . . . . 0.0 111.343 -178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 t70 176.26 20.77 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.122 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 -70.67 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 119.166 -1.493 . . . . 0.0 114.293 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.673 ' HA ' ' CZ ' ' A' ' 70' ' ' ARG . 80.7 p -58.55 122.06 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.169 0.484 . . . . 0.0 111.831 -172.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -114.38 91.01 3.48 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.711 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 11.2 mp -100.88 123.44 45.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.353 0.597 . . . . 0.0 111.41 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.537 HG21 ' HB1' ' A' ' 44' ' ' ALA . 8.2 m -104.59 111.31 23.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.145 175.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.02 165.43 38.11 Favored Glycine 0 N--CA 1.439 -1.14 0 C-N-CA 119.092 -1.528 . . . . 0.0 113.84 -175.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.497 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 8.2 t -103.42 146.37 28.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.291 -0.455 . . . . 0.0 110.046 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.61 ' HE1' HD22 ' A' ' 64' ' ' LEU . 35.2 t-105 -124.42 137.09 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.461 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.6 p -131.9 143.45 50.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.326 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.468 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 26.4 ttt -128.07 107.53 9.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.037 0.446 . . . . 0.0 110.267 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -104.45 104.62 14.51 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.547 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.58 -83.48 0.28 Allowed Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 112.681 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.458 ' HB2' ' HB ' ' A' ' 83' ' ' ILE . 17.2 p30 -145.87 39.93 1.15 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.714 0.768 . . . . 0.0 109.121 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' O ' ' HA ' ' A' ' 59' ' ' MET . 12.6 mptt -125.82 126.21 44.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.372 178.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.61 HD22 ' HE1' ' A' ' 57' ' ' TRP . 63.7 mt -107.16 109.58 21.44 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.744 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.427 HG13 ' N ' ' A' ' 66' ' ' GLY . 65.9 t -135.44 140.67 44.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.664 -174.102 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.427 ' N ' HG13 ' A' ' 65' ' ' VAL . . . -162.5 -160.19 10.93 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.598 176.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -165.07 113.19 1.02 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 5.1 m-85 -119.87 149.81 41.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.935 0.398 . . . . 0.0 111.096 -174.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.711 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 36.3 ttmt -103.67 127.05 51.17 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.941 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.673 ' CZ ' ' HA ' ' A' ' 51' ' ' THR . 22.7 tpt180 -123.0 85.13 2.37 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.107 -177.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.86 -38.71 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.268 -170.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -80.83 45.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.431 0.634 . . . . 0.0 110.979 -179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -166.36 -51.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.886 177.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.617 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . 176.56 38.29 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.812 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 65.6 pttt 43.96 32.06 0.58 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.696 1.198 . . . . 0.0 113.455 -177.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.406 ' N ' ' H ' ' A' ' 70' ' ' ARG . 17.3 mt-10 -165.31 142.85 5.92 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.019 0.437 . . . . 0.0 111.713 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 40.9 tp -168.58 108.99 0.51 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.49 171.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 70.9 mt -109.69 129.07 65.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -171.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.595 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -108.02 122.48 46.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 173.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 79' ' ' ALA . 54.9 t -144.9 131.25 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -177.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.659 ' HG2' ' HB ' ' A' ' 89' ' ' ILE . 14.6 tpt180 -166.02 150.09 7.91 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 121.006 0.431 . . . . 0.0 112.033 176.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -105.08 158.42 16.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.78 176.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.528 ' N ' HD13 ' A' ' 83' ' ' ILE . 3.1 mp -103.16 119.98 52.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.448 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 25.3 t -107.79 122.76 47.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.956 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.57 -121.13 25.1 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -173.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.85 95.93 4.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.66 0.743 . . . . 0.0 109.205 165.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 84' ' ' SER . 12.0 pt-20 -170.5 150.09 3.39 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.437 -1.256 . . . . 0.0 107.649 174.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 tp -124.35 133.99 53.28 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.368 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.659 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 15.6 mm -113.29 156.53 14.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 171.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.505 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 7.9 tt0 -140.77 111.53 6.97 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.616 -0.433 . . . . 0.0 109.999 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.595 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -106.63 131.73 53.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.474 -176.158 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -103.23 106.91 17.53 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.9 m -104.43 136.64 43.62 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.594 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.617 ' OH ' ' HA3' ' A' ' 74' ' ' GLY . 52.8 t80 -161.33 135.77 7.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 65.79 -69.48 0.11 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.934 0.771 . . . . 0.0 112.293 174.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.29 28.62 0.11 Allowed Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.0 m -139.92 147.92 23.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.768 0.318 . . . . 0.0 110.419 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.416 ' HB2' HG21 ' A' ' 91' ' ' THR . 17.9 pt-20 -126.22 126.89 44.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.482 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.47 114.8 24.73 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 17.8 pttm -120.08 136.7 54.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.607 0.718 . . . . 0.0 111.762 -178.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.621 ' HE ' ' HZ ' ' A' ' 103' ' ' PHE . 38.2 ttp180 -106.76 138.21 43.36 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.466 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.433 HD11 ' N ' ' A' ' 102' ' ' ILE . 3.3 mp -102.03 132.05 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.897 0.38 . . . . 0.0 111.5 -169.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.621 ' HZ ' ' HE ' ' A' ' 101' ' ' ARG . 5.5 m-85 -136.38 165.65 25.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.564 178.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.42 ' HD2' ' O ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -143.75 153.09 42.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 178.176 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -58.09 133.88 55.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.648 0.261 . . . . 0.0 110.873 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--O 1.246 0.877 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 173.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.514 0.197 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.544 ' CD2' HG21 ' A' ' 15' ' ' ILE . 68.8 m-85 -145.47 162.78 36.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.35 178.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -174.71 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.203 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.956 ' HA3' HG22 ' A' ' 14' ' ' THR . . . 175.95 89.96 0.08 OUTLIER Glycine 0 N--CA 1.418 -2.55 0 C-N-CA 116.714 -2.66 . . . . 0.0 114.754 159.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.79 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -176.03 102.26 0.07 Allowed 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 122.103 -0.646 . . . . 0.0 111.248 155.261 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 12.2 m95 -140.22 98.45 3.44 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 173.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.506 ' CG ' ' HB2' ' A' ' 11' ' ' LEU . 27.2 tptt -168.82 166.66 11.4 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.864 -0.735 . . . . 0.0 112.483 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.7 t -103.86 137.77 31.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.497 -177.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.22 -134.53 44.97 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.869 -0.605 . . . . 0.0 114.289 171.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.59 34.57 2.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.265 -0.493 . . . . 0.0 113.069 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' HB2' ' CG ' ' A' ' 7' ' ' LYS . 18.5 mt -120.79 143.18 48.97 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -121.45 141.71 50.74 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.074 0.464 . . . . 0.0 110.794 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.815 HD23 HG11 ' A' ' 24' ' ' VAL . 3.0 tt -141.17 132.58 26.79 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.956 HG22 ' HA3' ' A' ' 4' ' ' GLY . 20.2 m -128.26 129.12 45.9 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.965 -176.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.809 ' H ' ' HA2' ' A' ' 4' ' ' GLY . 57.5 mt -123.99 98.29 5.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.501 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 m -104.3 139.3 39.49 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.284 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 2.5 pp0? -149.67 144.55 26.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.392 0.615 . . . . 0.0 112.505 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -99.76 -118.06 0.15 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.141 174.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.43 -54.41 16.31 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.012 -1.09 . . . . 0.0 110.883 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -158.72 97.13 1.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.644 0.735 . . . . 0.0 109.147 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 35.9 tttm -170.78 115.85 0.46 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.592 -1.185 . . . . 0.0 107.95 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -113.39 148.05 36.55 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.739 -174.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 15.3 t -141.13 136.05 31.5 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.861 174.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.815 HG11 HD23 ' A' ' 13' ' ' LEU . 82.1 t -113.5 129.41 69.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.296 -173.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.751 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 34.0 ttmt -101.12 110.14 22.12 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.453 ' CD ' ' HZ2' ' A' ' 7' ' ' LYS . 16.2 mm-40 -107.94 132.48 53.45 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 120.928 0.394 . . . . 0.0 111.071 -179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.528 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 18.8 m -144.34 118.1 9.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.424 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.437 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 70.5 m -160.51 143.09 13.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.139 -177.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m120 67.04 -75.47 0.06 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 124.015 0.822 . . . . 0.0 111.194 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -167.74 57.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.197 0.522 . . . . 0.0 110.037 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.528 ' O ' ' HA ' ' A' ' 27' ' ' SER . 27.2 ptt180 -162.35 142.08 9.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.98 0.419 . . . . 0.0 111.417 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -127.04 129.06 47.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.7 tt -154.68 139.23 9.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.836 0.35 . . . . 0.0 110.566 -175.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.627 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 35.3 m-20 -110.56 133.65 53.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.363 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 23' ' ' THR . 16.3 t -110.54 110.34 31.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.5 p -103.62 138.45 28.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.581 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.7 p90 -159.35 145.03 16.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.459 0.647 . . . . 0.0 111.215 -176.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -103.96 148.44 26.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.556 177.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.583 ' H ' HD13 ' A' ' 39' ' ' LEU . 9.0 mp -62.81 124.44 21.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -176.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.36 37.76 58.76 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.733 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.49 ' O ' ' HA ' ' A' ' 56' ' ' THR . 78.3 t -125.61 135.22 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.772 0.286 . . . . 0.0 110.545 178.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.416 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.4 p30 -103.99 139.28 39.34 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -162.66 155.17 19.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.829 -172.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.5 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -104.42 137.19 42.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.547 175.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -155.04 142.33 19.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.683 0.277 . . . . 0.0 110.55 -175.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.3 t -102.72 128.24 49.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.868 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.517 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 95.5 mt -112.57 125.83 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.177 -176.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.85 31.11 15.05 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.38 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.2 t0 49.19 49.83 18.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.168 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.78 -53.78 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.489 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.567 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 69.2 p -92.36 122.86 35.22 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.558 -0.377 . . . . 0.0 110.102 178.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -111.2 94.74 5.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.567 ' CD1' ' HB ' ' A' ' 51' ' ' THR . 11.2 mp -104.42 124.27 48.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.423 -173.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 6.8 m -104.83 114.25 28.34 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.551 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.36 165.64 38.39 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 118.795 -1.669 . . . . 0.0 114.725 -173.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.49 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 9.3 t -106.49 148.66 27.93 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.113 -0.543 . . . . 0.0 109.998 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 66.0 t-105 -125.5 140.81 52.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 -179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.795 ' HG1' HG11 ' A' ' 65' ' ' VAL . 20.7 p -133.37 142.76 48.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.995 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.444 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.1 ttt -125.2 106.01 9.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.244 0.545 . . . . 0.0 109.786 171.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -103.83 108.57 19.94 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.629 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.46 -104.92 1.15 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.974 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -124.6 40.78 3.66 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.411 0.624 . . . . 0.0 109.411 175.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 59' ' ' MET . 4.3 mppt? -124.88 128.38 48.58 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.932 177.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.768 HD13 HD11 ' A' ' 83' ' ' ILE . 45.6 mt -108.47 122.04 46.21 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.006 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.795 HG11 ' HG1' ' A' ' 58' ' ' THR . 3.1 p -160.35 152.65 4.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.454 -169.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.57 -149.93 7.23 Favored Glycine 0 N--CA 1.439 -1.136 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.334 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 67' ' ' LYS . 5.0 ttmp? -161.72 107.03 1.29 Allowed 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.572 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.551 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 6.6 m-85 -117.48 150.35 39.07 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.689 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 5.0 ptpp? -121.83 126.36 48.6 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.331 0.586 . . . . 0.0 111.34 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.569 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -94.45 106.67 18.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.365 -179.052 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -63.55 -40.47 89.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -173.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -62.05 -37.59 85.55 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.811 0.339 . . . . 0.0 111.404 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.438 ' H ' ' HD2' ' A' ' 70' ' ' ARG . 6.2 m120 -71.12 -48.32 52.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.704 0.764 . . . . 0.0 109.777 176.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.36 -64.48 0.14 Allowed Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.488 ' C ' ' HB2' ' A' ' 69' ' ' LYS . 19.0 ptpt 176.04 54.03 0.0 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.066 -0.567 . . . . 0.0 111.473 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.689 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 3.1 mt-10 -168.01 139.72 2.94 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 176.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.569 ' HB2' ' HB2' ' A' ' 70' ' ' ARG . 5.0 tt -169.13 103.64 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 168.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 58.7 mt -118.81 131.0 72.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.945 0.403 . . . . 0.0 111.876 -169.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.623 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -106.67 129.65 54.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.001 174.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.511 HG23 HG22 ' A' ' 65' ' ' VAL . 57.7 t -140.82 129.01 23.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.679 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 13.7 tpt180 -166.71 148.95 6.44 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.414 ' HA ' ' HA ' ' A' ' 63' ' ' LYS . 12.4 pt-20 -105.71 166.06 10.73 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 171.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.768 HD11 HD13 ' A' ' 64' ' ' LEU . 18.6 mm -101.79 123.18 54.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.533 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 3.7 p -108.1 122.88 47.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.51 -121.97 26.41 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -123.93 96.68 5.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 122.276 1.036 . . . . 0.0 109.15 164.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.542 ' HA ' ' HA ' ' A' ' 104' ' ' LYS . 14.2 pt-20 -169.62 166.31 9.98 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.4 tp -138.4 127.23 23.76 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.391 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.679 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 32.1 mm -104.86 150.4 7.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 171.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.484 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.2 tp-100 -131.17 112.72 13.08 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.418 -176.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.623 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -104.58 125.99 51.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.329 -176.554 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.424 ' HD2' HD23 ' A' ' 77' ' ' LEU . 21.8 m-85 -104.29 107.24 18.06 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 5.7 m -104.22 134.34 47.61 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.12 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -145.85 122.36 11.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.977 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 68.3 -60.44 0.42 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.285 0.99 . . . . 0.0 111.638 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.89 31.36 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 93' ' ' THR . 22.0 t -131.68 130.06 61.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.64 126.14 55.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.245 0.545 . . . . 0.0 110.819 176.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.34 126.14 36.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 18.5 pttm -130.85 137.28 49.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.141 0.496 . . . . 0.0 112.09 -172.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.469 HH11 ' HG2' ' A' ' 101' ' ' ARG . 32.4 ttt-85 -104.79 154.73 19.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.535 178.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.44 ' HA ' HD11 ' A' ' 89' ' ' ILE . 13.3 tt -101.58 136.43 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.314 0.578 . . . . 0.0 112.001 -173.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -144.65 167.51 22.38 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.542 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -141.69 162.92 34.3 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.513 -178.521 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.561 ' HD2' ' O ' ' A' ' 5' ' ' THR . 23.8 tptp -68.38 131.36 45.17 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.076 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.609 ' CB ' ' HB ' ' A' ' 5' ' ' THR . 8.1 tp10 . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.989 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.439 ' HB3' ' H ' ' A' ' 2' ' ' PHE . . . . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.692 ' HB2' ' OE1' ' A' ' 17' ' ' GLN . 37.6 m-85 -73.95 -76.86 0.12 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.471 176.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 40.09 45.83 1.74 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.243 1.021 . . . . 0.0 110.968 -178.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.98 169.01 40.05 Favored Glycine 0 N--CA 1.44 -1.097 0 CA-C-N 113.899 -1.5 . . . . 0.0 110.943 -173.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.434 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 48.6 p -99.91 129.29 45.98 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 1.05 ' HZ3' ' HA ' ' A' ' 87' ' ' GLU . 23.9 m95 -136.52 103.44 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -177.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 33.0 tptt -166.17 167.95 15.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.901 0.381 . . . . 0.0 111.51 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.482 HG13 ' N ' ' A' ' 9' ' ' GLY . 15.3 t -100.85 155.48 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.472 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.482 ' N ' HG13 ' A' ' 8' ' ' VAL . . . -47.84 139.94 9.6 Favored Glycine 0 C--N 1.335 0.511 0 O-C-N 123.412 0.445 . . . . 0.0 113.506 -175.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.63 -36.4 3.85 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.541 -0.623 . . . . 0.0 111.541 -175.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.624 HD23 ' HA ' ' A' ' 28' ' ' SER . 13.0 mt -111.44 165.23 12.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.78 148.7 37.62 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.642 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 4.5 tt -150.81 132.08 14.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.087 0.47 . . . . 0.0 109.783 -175.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.425 ' OG1' HG22 ' A' ' 5' ' ' THR . 19.1 m -142.26 136.43 29.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.011 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.564 ' HA ' ' O ' ' A' ' 23' ' ' THR . 48.7 mt -132.8 139.63 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -134.89 130.53 36.06 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.692 ' OE1' ' HB2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -163.6 168.86 19.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.516 -170.47 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 1.022 ' H ' ' HB2' ' A' ' 20' ' ' ASN . 12.6 pt-20 -166.29 59.54 0.1 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.524 0.73 . . . . 0.0 109.82 178.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.1 63.17 3.56 Favored Glycine 0 C--N 1.343 0.953 0 N-CA-C 107.255 -2.338 . . . . 0.0 107.255 -165.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 1.022 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -149.09 -170.65 3.68 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -146.651 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.698 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 34.7 ttpt -96.63 123.46 40.31 Favored 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 110.87 -2.877 . . . . 0.0 106.451 176.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.567 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 1.3 m-30 -101.72 117.58 35.18 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.241 -168.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.564 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -108.56 124.52 50.6 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.468 -179.059 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.551 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 69.7 t -103.73 133.7 46.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.894 -175.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.642 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 74.3 tttt -101.84 105.37 16.2 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -105.55 138.08 42.34 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -151.28 134.73 16.19 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.528 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.624 ' HA ' HD23 ' A' ' 11' ' ' LEU . 50.4 m -153.12 112.3 3.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.77 0.319 . . . . 0.0 111.414 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 66.1 -62.3 0.26 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.274 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.93 45.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.003 0.43 . . . . 0.0 111.155 -176.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -160.81 135.72 7.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.149 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -126.31 129.82 49.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.794 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.6 tt -146.59 134.95 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.043 -174.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.551 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 13.1 p-10 -107.7 137.76 45.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.094 0.473 . . . . 0.0 110.796 178.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.49 HG21 HD23 ' A' ' 47' ' ' LEU . 21.8 t -112.57 109.49 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.4 177.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.4 p -106.68 132.2 54.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.003 0.43 . . . . 0.0 111.406 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 22' ' ' PHE . 8.9 p90 -153.46 141.52 20.34 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.381 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.698 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 33.2 tt0 -100.7 143.75 30.49 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.587 -173.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.537 HD12 ' N ' ' A' ' 20' ' ' ASN . 1.1 mt -53.23 112.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.816 -175.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.3 40.74 69.75 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.08 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 56' ' ' THR . 71.6 t -124.04 138.19 54.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.934 0.367 . . . . 0.0 110.348 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -106.85 133.93 50.76 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.1 p90 -164.39 165.28 21.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -169.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.497 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -104.62 132.35 50.97 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 173.239 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -143.54 140.14 30.1 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.533 ' HA ' ' O ' ' A' ' 51' ' ' THR . 36.8 t -102.85 128.81 49.47 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 121.153 0.502 . . . . 0.0 110.132 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.49 HD23 HG21 ' A' ' 35' ' ' VAL . 54.1 mt -110.3 136.34 49.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.699 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.05 24.71 11.47 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.891 0.745 . . . . 0.0 110.755 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 51.67 38.84 23.82 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.263 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.52 -54.95 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.538 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.533 ' O ' ' HA ' ' A' ' 46' ' ' SER . 49.7 p -77.56 139.53 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -125.52 99.54 6.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.69 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 10.7 mp -103.97 124.16 48.5 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.306 -174.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.497 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 6.3 m -104.93 113.55 27.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 171.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.481 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -167.03 165.97 38.89 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 119.541 -1.314 . . . . 0.0 113.744 -175.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 13.1 t -108.95 146.52 33.7 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.517 ' HE1' HD22 ' A' ' 64' ' ' LEU . 31.6 t-105 -129.04 136.03 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.919 -178.165 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.9 p -132.75 129.21 38.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 111.054 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.884 ' HE1' ' HA ' ' A' ' 62' ' ' ASN . 9.4 tpt -107.31 104.99 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 173.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -104.56 103.68 13.4 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.623 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.38 -66.65 0.75 Allowed Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.195 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.884 ' HA ' ' HE1' ' A' ' 59' ' ' MET . 9.3 p-10 -165.81 41.0 0.06 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -176.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -141.69 126.39 18.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.781 -178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.517 HD22 ' HE1' ' A' ' 57' ' ' TRP . 32.9 mt -103.57 104.63 14.71 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.867 -176.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.6 t -135.21 136.24 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.673 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -169.41 -157.31 11.72 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -166.2 120.85 1.16 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.481 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 9.2 m-85 -121.19 147.27 45.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.48 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.69 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 35.6 ttmt -104.4 127.27 52.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.319 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.634 ' HD2' HD22 ' A' ' 77' ' ' LEU . 20.7 ttt180 -125.98 101.12 6.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.362 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.5 ' C ' ' H ' ' A' ' 73' ' ' ASN . 8.7 p -70.65 -15.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.169 0.509 . . . . 0.0 110.279 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -70.51 24.23 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.068 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.5 ' H ' ' C ' ' A' ' 71' ' ' VAL . 45.5 t30 -173.22 -41.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.435 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . -162.31 -84.86 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -173.7 34.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.599 0.238 . . . . 0.0 111.105 172.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.491 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 37.5 mt-10 -162.99 147.09 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.344 0.592 . . . . 0.0 111.223 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.634 HD22 ' HD2' ' A' ' 70' ' ' ARG . 40.7 tp -167.09 104.33 0.55 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 171.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.628 ' HB ' ' HB ' ' A' ' 93' ' ' THR . 48.1 mt -115.39 148.27 18.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.667 -170.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.66 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -121.74 130.79 53.68 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 171.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.8 p -149.86 124.33 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.522 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 14.0 tpt180 -169.18 166.2 10.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.495 174.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -126.31 146.58 49.97 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.957 177.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.519 HD11 ' N ' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -102.61 128.18 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.901 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 166.474 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.497 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 46.9 m -148.06 98.09 2.88 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 118.325 -1.35 . . . . 0.0 112.159 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 51.3 39.94 44.4 Favored Glycine 0 CA--C 1.498 -1.023 0 N-CA-C 108.595 -1.802 . . . . 0.0 108.595 -175.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 84' ' ' SER . 4.2 t-20 -166.65 173.68 9.45 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-N 112.469 -1.866 . . . . 0.0 107.699 -159.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 1.05 ' HA ' ' HZ3' ' A' ' 6' ' ' TRP . 0.7 OUTLIER -103.17 167.94 9.5 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 113.319 -1.764 . . . . 0.0 107.385 -178.027 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.5 ' O ' ' HB2' ' A' ' 103' ' ' PHE . 12.6 tp -96.19 129.63 43.45 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-O 121.922 0.868 . . . . 0.0 112.155 -165.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.591 HG23 ' N ' ' A' ' 90' ' ' GLN . 4.0 mp -101.82 163.56 3.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.591 ' N ' HG23 ' A' ' 89' ' ' ILE . 52.5 tt0 -138.74 118.8 13.42 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 121.368 -0.833 . . . . 0.0 111.313 -175.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.66 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 7.4 m -104.99 133.0 50.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.28 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.4 ' HA ' ' O ' ' A' ' 78' ' ' ILE . 6.9 m-85 -104.05 108.32 19.62 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 167.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.628 ' HB ' ' HB ' ' A' ' 78' ' ' ILE . 34.3 m -102.44 134.86 45.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.862 -175.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.435 ' OH ' ' HA3' ' A' ' 74' ' ' GLY . 46.1 t80 -147.61 122.3 9.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.695 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 56.38 43.69 25.77 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.588 0.708 . . . . 0.0 110.465 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.54 14.34 69.44 Favored Glycine 0 CA--C 1.521 0.434 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.503 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 93' ' ' THR . 25.4 t -104.19 135.6 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 117.034 0.417 . . . . 0.0 109.931 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -104.93 133.87 49.01 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.239 0.543 . . . . 0.0 111.478 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.66 113.78 9.39 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -129.26 148.73 51.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -168.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.7 tpt85 -122.67 143.06 50.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.56 -1.2 . . . . 0.0 107.952 172.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 73.7 mt -100.31 126.79 53.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.379 0.609 . . . . 0.0 111.029 -173.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.5 ' HB2' ' O ' ' A' ' 88' ' ' LEU . 55.0 m-85 -123.01 168.48 12.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.824 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.57 ' HA ' ' CB ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -142.29 165.41 27.51 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.82 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.526 ' HA ' ' HA ' ' A' ' 6' ' ' TRP . 8.8 tmtm? -54.69 132.86 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.673 ' H ' ' HA ' ' A' ' 6' ' ' TRP . 19.8 tt0 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.434 -0.793 . . . . 0.0 110.426 -174.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.432 ' HB1' ' H ' ' A' ' 2' ' ' PHE . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.432 ' H ' ' HB1' ' A' ' 1' ' ' ALA . 14.7 m-85 -79.13 -105.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.905 -0.134 . . . . 0.0 111.224 -179.289 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 t70 62.39 58.36 1.74 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.78 0.8 . . . . 0.0 109.382 -174.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.6 166.9 38.74 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.782 -173.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -101.2 127.73 47.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.659 0.266 . . . . 0.0 110.812 -178.765 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 6.4 m0 -132.0 102.18 5.72 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.552 ' CD ' ' HB2' ' A' ' 13' ' ' LEU . 29.4 tptt -168.15 171.0 9.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.081 0.467 . . . . 0.0 111.925 -176.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.578 HG21 ' HD1' ' A' ' 103' ' ' PHE . 38.5 t -99.33 146.47 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.288 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.21 140.03 5.02 Favored Glycine 0 C--N 1.335 0.509 0 O-C-N 123.728 0.642 . . . . 0.0 113.925 -174.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.78 -38.77 3.01 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -174.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 28' ' ' SER . 23.4 mt -104.9 165.59 10.97 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -146.26 143.12 28.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.893 0.377 . . . . 0.0 110.149 174.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.657 HD22 ' N ' ' A' ' 14' ' ' THR . 3.6 tt -139.79 135.17 32.76 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.657 ' N ' HD22 ' A' ' 13' ' ' LEU . 4.8 m -135.03 122.28 21.58 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -110.77 115.05 48.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 m -123.01 144.37 49.31 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.395 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.604 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.7 pm0 -130.34 132.83 46.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.295 0.569 . . . . 0.0 111.274 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -104.27 87.07 2.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.85 174.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.56 -103.65 1.56 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -167.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -125.82 94.35 4.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 166.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.604 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 8.6 mtpm? -169.51 106.17 0.38 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -103.67 128.96 50.92 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.447 -171.217 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 9.5 t -115.45 129.66 56.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.352 175.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.425 ' CG1' HD23 ' A' ' 13' ' ' LEU . 54.6 t -104.2 124.85 58.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.643 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 40.0 tttm -100.47 110.4 22.58 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -103.69 136.71 42.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.405 0.622 . . . . 0.0 111.063 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.565 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 7.5 m -144.81 110.81 5.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.713 177.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.512 ' HA ' HD21 ' A' ' 11' ' ' LEU . 58.5 m -158.72 152.38 23.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 -174.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 m120 68.1 -78.38 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.795 0.684 . . . . 0.0 110.785 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -167.37 47.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.565 ' O ' ' HA ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -144.71 148.83 34.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.064 -167.718 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -145.38 115.71 7.55 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.551 174.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.41 HG21 HD11 ' A' ' 33' ' ' ILE . 0.0 OUTLIER -152.67 136.48 8.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.237 -172.28 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.0 137.61 41.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.253 -176.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.7 t -114.02 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.445 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 11.4 p -107.5 137.95 36.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.954 0.407 . . . . 0.0 110.969 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -150.27 143.55 25.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.918 -177.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -103.65 141.99 35.09 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.4 mp -59.21 121.71 12.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.283 -173.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.62 30.15 60.45 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.898 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG11 ' N ' ' A' ' 42' ' ' ASP . 81.7 t -119.06 137.94 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.847 0.356 . . . . 0.0 110.381 178.105 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.449 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 9.1 p-10 -104.35 141.08 36.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.394 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -163.81 150.39 11.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.108 0.48 . . . . 0.0 111.667 -173.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.415 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -104.65 136.22 44.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.581 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.409 ' HD2' HD23 ' A' ' 47' ' ' LEU . 23.2 t80 -159.54 149.69 18.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.796 0.331 . . . . 0.0 110.749 -176.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 t -102.26 126.23 49.19 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.629 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.57 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 85.2 mt -108.34 129.6 55.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.626 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 51.96 32.14 9.63 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.936 0.773 . . . . 0.0 112.287 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.42 47.13 24.46 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.195 178.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.4 -51.47 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.743 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.605 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 82.1 p -94.61 124.34 38.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 117.169 0.485 . . . . 0.0 110.414 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.621 ' H ' ' CD ' ' A' ' 70' ' ' ARG . 16.6 mt-10 -111.13 91.51 3.69 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.605 ' CD1' ' HB ' ' A' ' 51' ' ' THR . 10.9 mp -103.38 127.05 50.84 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.048 -172.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 7.3 m -107.94 112.3 24.82 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.425 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.77 166.37 39.02 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 118.985 -1.579 . . . . 0.0 114.163 -173.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 15.2 t -110.53 143.78 40.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.189 -0.506 . . . . 0.0 110.113 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 24.0 t-105 -119.82 135.61 54.79 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.5 p -134.79 137.21 43.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.918 0.389 . . . . 0.0 110.89 178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.438 ' HE2' HD23 ' A' ' 64' ' ' LEU . 50.0 ttm -104.24 116.49 32.27 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 172.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -103.51 102.83 12.74 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.75 -112.24 4.62 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.267 -173.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -114.43 52.96 0.81 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.523 0.678 . . . . 0.0 109.294 172.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 82' ' ' GLU . 10.6 mptt -138.26 138.02 38.04 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.067 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.438 HD23 ' HE2' ' A' ' 59' ' ' MET . 46.7 mt -110.83 104.86 13.52 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.769 -177.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.51 140.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.022 -174.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -166.65 -159.63 12.63 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.773 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.653 ' HB2' ' HZ2' ' A' ' 67' ' ' LYS . 4.8 ttmp? -165.07 114.75 1.09 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.644 ' H ' HG12 ' A' ' 78' ' ' ILE . 12.5 m-85 -125.11 146.08 49.64 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.144 0.497 . . . . 0.0 110.779 -177.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.551 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 34.4 ttmt -110.47 125.45 53.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.626 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.644 ' CZ ' ' HB2' ' A' ' 72' ' ' ASP . 14.5 tpt180 -124.91 105.27 9.1 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.426 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 8.7 p -64.06 -34.34 68.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -173.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.644 ' HB2' ' CZ ' ' A' ' 70' ' ' ARG . 41.7 t0 -56.79 -42.68 79.89 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.739 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -83.83 -54.15 5.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.712 0.292 . . . . 0.0 111.737 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -178.76 39.23 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 55.0 pttt 47.15 35.63 3.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.5 1.12 . . . . 0.0 112.529 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -159.7 134.75 8.06 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.486 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 4.8 tt -168.42 104.82 0.45 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.644 HG12 ' H ' ' A' ' 68' ' ' PHE . 20.4 mt -119.09 165.63 14.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.371 -173.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.504 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -137.04 114.83 11.29 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.448 HG22 HG23 ' A' ' 78' ' ' ILE . 60.5 t -133.69 128.59 54.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.213 -176.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.698 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 20.9 tpt180 -165.08 148.82 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.052 0.453 . . . . 0.0 111.897 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 63' ' ' LYS . 1.0 OUTLIER -104.47 165.96 10.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.796 174.748 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.6 mm -101.74 120.9 52.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.2 t -110.81 128.56 55.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.55 -123.4 32.63 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -172.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -130.71 95.08 3.76 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 118.984 -1.086 . . . . 0.0 109.247 162.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -171.26 153.25 3.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.283 -1.326 . . . . 0.0 107.77 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.1 tp -117.72 126.36 52.32 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.394 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.698 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.3 mp -104.3 147.73 9.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 170.837 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.461 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 50.6 tt0 -124.16 115.09 20.54 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.783 -174.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.623 ' HA ' ' O ' ' A' ' 99' ' ' ALA . 0.2 OUTLIER -110.22 132.81 53.84 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.623 -178.312 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . 0.429 ' O ' ' HB3' ' A' ' 99' ' ' ALA . 3.3 m-85 -101.33 118.28 36.65 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 169.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.621 HG22 ' HA ' ' A' ' 97' ' ' VAL . 0.9 OUTLIER -100.8 129.5 46.69 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.985 -168.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -165.76 149.54 8.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.276 -172.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 48.9 48.18 20.73 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -177.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.659 ' O ' HG11 ' A' ' 97' ' ' VAL . . . 119.44 -108.61 1.54 Allowed Glycine 0 N--CA 1.43 -1.707 0 CA-C-N 113.834 -1.53 . . . . 0.0 110.646 -166.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.659 HG11 ' O ' ' A' ' 96' ' ' GLY . 2.1 m -171.16 89.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 117.449 -1.262 . . . . 0.0 111.706 176.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -179.47 130.66 0.1 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 162.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.623 ' O ' ' HA ' ' A' ' 91' ' ' THR . . . -169.81 102.76 0.31 Allowed 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 114.068 -1.424 . . . . 0.0 107.327 164.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 12.4 pttt -126.46 139.1 53.5 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -164.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -124.89 144.16 50.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 113.565 -1.652 . . . . 0.0 107.694 171.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 55.4 mt -101.94 126.25 55.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.285 0.564 . . . . 0.0 111.388 -172.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.578 ' HD1' HG21 ' A' ' 8' ' ' VAL . 53.7 m-85 -120.97 166.52 13.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.465 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -143.62 154.77 43.89 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.423 -175.493 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -61.56 126.28 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.018 0.437 . . . . 0.0 110.433 -177.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.2 tp10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.332 176.09 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.708 ' O ' HG22 ' A' ' 15' ' ' ILE . . . . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 119.214 -0.422 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.746 ' CD1' HG23 ' A' ' 15' ' ' ILE . 19.0 m-30 -121.36 130.13 53.45 Favored 'General case' 0 CA--C 1.558 1.277 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -170.332 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.974 ' N ' ' H ' ' A' ' 16' ' ' THR . 0.6 OUTLIER 139.03 47.49 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 127.577 2.351 . . . . 0.0 111.767 -169.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.959 ' HA3' ' HB ' ' A' ' 16' ' ' THR . . . -165.56 169.51 40.01 Favored Glycine 0 C--O 1.182 -3.107 0 CA-C-O 118.627 -1.096 . . . . 0.0 110.855 -173.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p -103.45 122.11 44.21 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 117.771 -3.194 . . . . 0.0 114.916 -169.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.702 ' NE1' HG21 ' A' ' 15' ' ' ILE . 0.0 OUTLIER -132.42 113.51 13.23 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 164.847 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.558 ' CD ' ' HB2' ' A' ' 13' ' ' LEU . 11.2 tptm -168.74 169.84 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 119.398 0.999 . . . . 0.0 112.697 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.7 t -100.26 144.29 12.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.067 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.96 126.81 10.48 Favored Glycine 0 C--N 1.332 0.309 0 O-C-N 123.539 0.525 . . . . 0.0 113.465 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.67 -32.29 6.31 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 -175.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 17.4 mt -118.44 165.77 13.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -133.47 146.91 51.57 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.82 ' HA ' ' O ' ' A' ' 25' ' ' LYS . 2.1 tt -148.96 121.03 8.26 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.926 ' HA ' ' O ' ' A' ' 4' ' ' GLY . 28.8 m -104.91 121.05 42.9 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.453 -175.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.746 HG23 ' CD1' ' A' ' 2' ' ' PHE . 29.9 mt -158.58 104.9 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.475 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.974 ' H ' ' N ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER -175.34 109.79 0.11 Allowed 'General case' 0 N--CA 1.434 -1.267 0 O-C-N 121.174 -0.954 . . . . 0.0 110.329 169.741 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.886 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 5.7 tp-100 -103.53 158.35 16.42 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 120.685 -1.26 . . . . 0.0 113.969 -172.061 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 17' ' ' GLN . 1.5 pp20? -54.84 -39.3 68.45 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.255 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -171.76 -53.7 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 177.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -148.77 94.02 2.21 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 172.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.886 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 34.7 mttm -169.47 129.73 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 174.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.727 ' HA ' ' HB2' ' A' ' 2' ' ' PHE . 13.0 m-30 -121.82 103.66 9.02 Favored 'General case' 0 C--N 1.286 -2.177 0 O-C-N 119.696 -1.877 . . . . 0.0 112.192 -165.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 2.3 m -110.05 113.45 26.17 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.903 -1.044 . . . . 0.0 108.939 167.724 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.59 ' HA ' ' O ' ' A' ' 14' ' ' THR . 93.4 t -103.79 122.03 56.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.82 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 38.7 tttp -101.93 111.19 23.37 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.522 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.414 ' C ' ' HG ' ' A' ' 27' ' ' SER . 9.6 tp10 -104.34 143.66 32.68 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.265 -178.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.414 ' HG ' ' C ' ' A' ' 26' ' ' GLU . 22.9 m -155.7 136.34 13.38 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.978 -175.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 49.3 m -158.06 134.8 9.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.52 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 64.71 -71.07 0.08 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.584 0.754 . . . . 0.0 112.412 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -160.68 47.66 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.603 0.716 . . . . 0.0 110.193 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 28' ' ' SER . 7.7 ptm180 -146.0 146.83 31.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.337 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -152.01 125.41 8.8 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 tp -150.83 132.37 5.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.022 -172.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 1.4 m-20 -104.12 124.78 49.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.57 HG23 HD11 ' A' ' 47' ' ' LEU . 5.0 t -104.66 117.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 175.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.32 128.51 60.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.107 0.479 . . . . 0.0 111.143 -177.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.44 ' HZ ' HG21 ' A' ' 24' ' ' VAL . 11.4 p90 -159.19 151.86 21.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.797 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.424 ' HB2' HG21 ' A' ' 41' ' ' VAL . 46.8 mt-10 -107.87 159.61 16.39 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.784 ' H ' HD11 ' A' ' 39' ' ' LEU . 5.0 mp -66.11 128.21 35.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -175.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.17 36.2 28.23 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.839 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 56' ' ' THR . 64.4 t -124.18 132.96 70.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.487 0.184 . . . . 0.0 110.636 178.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -103.46 137.38 41.63 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 174.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -155.39 145.05 21.27 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.958 0.409 . . . . 0.0 111.286 -173.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.639 ' HB3' HG23 ' A' ' 54' ' ' THR . . . -111.88 130.32 55.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -163.12 154.7 17.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.276 -174.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.444 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 29.6 t -101.86 125.72 48.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.21 175.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.57 HD11 HG23 ' A' ' 35' ' ' VAL . 74.5 mt -111.08 129.81 55.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.371 -175.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.5 36.63 26.16 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 124.029 0.831 . . . . 0.0 112.08 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 54.24 48.64 20.39 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.507 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.73 -84.66 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.046 -1.073 . . . . 0.0 112.723 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.53 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 68.0 p -64.26 127.52 31.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.597 0.237 . . . . 0.0 110.838 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.444 ' HG2' ' HB2' ' A' ' 46' ' ' SER . 54.8 mt-10 -115.58 95.28 5.07 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.589 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 11.2 mp -104.33 123.53 47.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.453 -172.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.639 HG23 ' HB3' ' A' ' 44' ' ' ALA . 7.8 m -104.08 106.53 17.07 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 174.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -159.79 165.3 34.56 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 118.456 -1.83 . . . . 0.0 114.933 -172.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 10.9 t -118.98 144.28 46.58 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.508 -0.846 . . . . 0.0 109.64 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.431 ' CE3' ' HE1' ' A' ' 68' ' ' PHE . 65.9 t-105 -124.26 138.64 54.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.327 -174.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.3 p -142.43 132.01 23.88 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.706 0.289 . . . . 0.0 110.575 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.475 ' HE1' ' HA ' ' A' ' 62' ' ' ASN . 26.0 ttt -105.01 115.44 30.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -104.15 104.56 14.5 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.94 -120.45 16.36 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.309 -0.948 . . . . 0.0 110.733 -170.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.475 ' HA ' ' HE1' ' A' ' 59' ' ' MET . 16.6 p30 -110.76 36.38 3.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.133 0.492 . . . . 0.0 109.993 173.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.55 135.9 54.95 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.849 177.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.525 ' HB2' ' O ' ' A' ' 81' ' ' ARG . 40.0 mt -114.53 111.86 22.04 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.303 -176.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 87.2 t -141.28 134.52 30.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.847 -176.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.34 -148.37 5.37 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.569 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.483 ' HA ' HG12 ' A' ' 78' ' ' ILE . 80.9 tttt -165.51 131.26 2.59 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 57.2 m-85 -131.52 141.89 49.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.883 0.373 . . . . 0.0 110.055 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 51.2 tttm -104.16 112.17 25.07 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.066 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.71 68.74 3.38 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.7 p -63.66 -24.47 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.744 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -49.17 -35.39 16.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.16 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.6 t30 -130.79 -41.11 1.18 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.579 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -131.39 -110.64 1.32 Allowed Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.476 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.49 ' HG2' ' CG ' ' A' ' 76' ' ' GLU . 15.7 ttpp -151.44 -38.31 0.12 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -171.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.535 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 46.3 mt-10 -150.15 123.39 8.93 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.978 -172.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.517 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 53.6 tp -130.66 113.08 13.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.955 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.483 HG12 ' HA ' ' A' ' 67' ' ' LYS . 66.1 mt -119.23 132.2 69.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.08 -171.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.59 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -105.21 128.61 53.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 81.5 t -140.9 122.13 13.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -177.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.625 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 10.9 tpt180 -167.17 154.8 9.13 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 120.974 0.416 . . . . 0.0 111.912 175.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -104.57 158.2 16.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.879 175.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.519 HD13 HD11 ' A' ' 88' ' ' LEU . 8.0 mm -102.56 118.31 49.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.465 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 20.8 m -103.76 122.54 45.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.41 -120.1 19.47 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -172.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -129.96 96.51 4.22 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.371 163.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 84' ' ' SER . 25.7 pt-20 -168.4 151.42 5.48 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 174.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.519 HD11 HD13 ' A' ' 83' ' ' ILE . 34.9 tp -128.58 127.27 41.98 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.585 -0.846 . . . . 0.0 112.546 -176.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.625 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 56.6 mt -104.56 146.83 11.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 166.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.485 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.0 tp-100 -130.75 124.74 32.13 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.679 -175.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.59 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -112.6 124.67 53.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.792 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -103.93 109.33 21.05 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.512 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 29.8 m -102.33 106.92 17.78 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . 0.535 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 8.9 t80 -112.26 118.07 34.28 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.253 -176.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 65.14 -60.54 0.24 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.193 0.933 . . . . 0.0 112.065 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.03 33.14 0.16 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.422 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.512 ' O ' ' HA ' ' A' ' 93' ' ' THR . 7.5 m -141.6 134.16 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 175.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -109.07 130.5 55.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.076 0.465 . . . . 0.0 111.22 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.53 121.21 35.99 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.473 176.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.485 ' HA ' ' O ' ' A' ' 90' ' ' GLN . 11.0 pttm -113.71 146.38 39.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.264 0.554 . . . . 0.0 111.971 -176.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -140.9 139.25 34.33 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.4 mp -102.88 134.63 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.02 0.438 . . . . 0.0 111.527 -170.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -137.13 161.68 35.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.509 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 156.62 43.28 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LYS . . . . . 0.447 ' HA ' ' CB ' ' A' ' 6' ' ' TRP . 62.7 tttm -70.12 141.93 52.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.707 0.289 . . . . 0.0 110.613 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.274 -0.87 . . . . 0.0 109.933 177.189 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.01 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.439 HG22 ' OG1' ' A' ' 14' ' ' THR . 25.3 p -99.83 126.08 45.88 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.316 0.558 . . . . 0.0 110.304 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.546 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 3.4 m95 -127.49 100.35 5.98 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.845 ' HE3' ' HB2' ' A' ' 13' ' ' LEU . 1.7 tppp? -168.04 168.74 11.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.454 0.645 . . . . 0.0 111.521 -176.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' H ' ' CD ' ' A' ' 7' ' ' LYS . 96.0 t -100.17 143.03 14.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.18 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.32 134.71 23.94 Favored Glycine 0 C--N 1.333 0.376 0 O-C-N 123.323 0.389 . . . . 0.0 113.415 -174.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.54 -35.56 4.96 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.882 HD22 ' HA ' ' A' ' 28' ' ' SER . 22.8 mt -110.24 168.91 9.09 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 175.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HG2' ' HB2' ' A' ' 27' ' ' SER . 54.8 pttt -142.67 147.95 36.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.845 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 3.3 tt -152.83 137.56 16.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.515 ' N ' HD23 ' A' ' 13' ' ' LEU . 16.0 m -148.6 126.74 12.1 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.038 0.447 . . . . 0.0 110.293 -172.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mp -108.52 148.17 12.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.7 m -155.72 146.89 22.52 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 5.0 pm0 -142.53 125.69 16.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.406 0.622 . . . . 0.0 111.906 -176.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HG3' ' HB2' ' A' ' 21' ' ' LYS . 4.9 pt-20 -94.08 87.74 5.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.342 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.95 -107.44 2.29 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -169.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 3.3 m120 -119.91 95.67 4.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 168.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.834 ' HD2' ' HG2' ' A' ' 38' ' ' GLU . 24.6 mmmt -167.7 103.84 0.5 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -104.12 122.17 44.75 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.684 -0.807 . . . . 0.0 111.431 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 15.2 t -113.86 138.99 49.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.304 176.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.565 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 82.3 t -117.53 127.76 74.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.147 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.741 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 83.1 tttt -101.93 107.23 18.32 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 4.8 tp10 -110.83 118.57 36.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.832 0.349 . . . . 0.0 111.753 -174.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.513 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 4.3 m -124.08 115.58 21.4 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 169.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.882 ' HA ' HD22 ' A' ' 11' ' ' LEU . 70.9 m -153.09 142.4 21.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.979 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.8 t30 67.23 -72.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.944 0.778 . . . . 0.0 111.718 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -171.75 47.66 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.006 0.431 . . . . 0.0 110.703 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -166.08 132.82 2.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.876 174.608 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.483 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 11.3 t30 -109.21 125.54 52.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.625 176.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.589 HG12 HD22 ' A' ' 47' ' ' LEU . 7.4 tp -146.26 135.92 17.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.722 -175.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.565 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 2.8 m-20 -104.66 141.1 37.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.098 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.7 t -127.98 117.98 47.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.525 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 13.9 p -104.79 139.75 24.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.777 0.322 . . . . 0.0 110.401 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 28.5 p90 -151.36 145.95 25.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.267 0.556 . . . . 0.0 111.054 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.834 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 26.1 mt-10 -103.76 144.15 31.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.409 ' HG ' ' HB3' ' A' ' 59' ' ' MET . 7.0 mp -63.02 112.27 2.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.116 0.484 . . . . 0.0 111.488 -173.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.525 ' HA2' HG22 ' A' ' 58' ' ' THR . . . 76.57 37.59 34.8 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.758 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.0 t -126.32 145.62 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.709 0.29 . . . . 0.0 110.533 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.6 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.8 p30 -101.78 138.64 38.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.167 -178.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 38.0 p90 -157.97 149.94 21.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.135 -173.111 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.527 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -113.97 142.0 46.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.799 178.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CE1' ' HG ' ' A' ' 47' ' ' LEU . 45.7 p90 -157.86 149.77 21.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.866 0.365 . . . . 0.0 110.819 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 51' ' ' THR . 29.1 t -105.3 126.2 51.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.576 173.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.589 HD22 HG12 ' A' ' 33' ' ' ILE . 36.8 mt -104.8 124.11 48.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.458 177.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.65 34.52 23.43 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.877 0.736 . . . . 0.0 111.565 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.3 t70 50.38 49.97 19.65 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.335 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.67 -56.0 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.938 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 58.3 p -90.38 114.35 26.44 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 122.219 -0.577 . . . . 0.0 109.742 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -110.42 95.44 5.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.737 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 9.0 mp -103.84 123.96 48.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.367 -173.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.527 HG23 ' HB2' ' A' ' 44' ' ' ALA . 15.9 m -106.0 117.13 33.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 67' ' ' LYS . . . -167.33 165.66 38.76 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 119.179 -1.486 . . . . 0.0 114.065 -177.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 9.9 t -104.31 138.53 40.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.261 176.38 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.588 ' HE1' HD22 ' A' ' 64' ' ' LEU . 23.5 t-105 -117.82 126.08 51.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.623 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.525 HG22 ' HA2' ' A' ' 40' ' ' GLY . 68.5 p -114.58 135.12 54.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.409 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 24.3 ttt -117.08 124.43 49.22 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.583 0.706 . . . . 0.0 110.951 176.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -101.19 153.82 19.28 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 165.528 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -36.67 -36.79 0.18 Allowed Glycine 0 N--CA 1.463 0.454 0 O-C-N 123.89 0.744 . . . . 0.0 114.289 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -138.4 36.53 2.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.944 0.402 . . . . 0.0 110.613 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.864 ' HD2' ' HB3' ' A' ' 82' ' ' GLU . 30.5 mmmt -143.81 123.54 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.588 HD22 ' HE1' ' A' ' 57' ' ' TRP . 86.0 mt -113.16 113.01 24.76 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.431 HG22 HG13 ' A' ' 80' ' ' VAL . 59.2 t -139.56 138.03 39.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.249 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.62 -158.02 8.91 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.159 -1.02 . . . . 0.0 112.188 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.47 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 45.0 tttp -165.63 123.49 1.54 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.534 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.737 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 42.8 m-85 -132.03 144.42 50.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.213 0.53 . . . . 0.0 111.035 -175.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.665 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 77.8 tttt -110.76 123.64 50.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.309 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 51' ' ' THR . 6.8 ttt180 -118.48 100.41 7.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.5 m -62.03 -33.01 56.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -79.38 40.8 0.44 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -171.38 -62.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.467 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.452 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . -167.08 34.05 0.21 Allowed Glycine 0 CA--C 1.509 -0.333 0 C-N-CA 120.14 -1.028 . . . . 0.0 112.364 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.665 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 23.4 pttp 43.02 21.39 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 174.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.477 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 23.3 mt-10 -164.81 104.3 0.8 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.704 0.684 . . . . 0.0 111.919 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 92' ' ' TYR . 64.0 tp -134.64 119.58 18.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.836 169.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.507 HG22 HG23 ' A' ' 80' ' ' VAL . 71.9 mt -123.52 139.02 51.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.491 -171.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.593 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -110.3 125.9 53.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.507 HG23 HG22 ' A' ' 78' ' ' ILE . 95.2 t -140.53 131.75 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.922 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 16.5 tpt180 -166.08 144.78 5.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.864 ' HB3' ' HD2' ' A' ' 63' ' ' LYS . 3.9 pt-20 -104.63 162.46 13.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.682 172.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.6 mm -102.28 121.83 53.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.648 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -114.03 120.44 40.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.396 0.141 . . . . 0.0 110.813 -179.427 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.43 -130.47 51.04 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -112.6 95.04 5.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.196 167.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.648 ' HG2' ' O ' ' A' ' 84' ' ' SER . 22.4 pt-20 -170.29 165.64 8.87 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.446 175.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.5 tp -139.39 127.53 22.49 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.653 170.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.72 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 30.9 mm -105.22 162.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 172.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.463 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.4 tp-100 -142.81 115.27 8.51 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.199 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.842 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -108.58 124.8 51.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -177.028 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.537 ' HB3' HD11 ' A' ' 77' ' ' LEU . 22.8 m-85 -104.36 110.39 22.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 171.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.4 m -103.04 115.4 30.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.088 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.477 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 41.4 t80 -120.46 124.65 45.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.995 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 66.77 -69.4 0.13 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.013 0.82 . . . . 0.0 111.063 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.93 32.76 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.84 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 15.7 t -129.81 131.01 66.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -104.75 123.52 47.79 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.672 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.51 132.5 54.35 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.842 ' HB3' HG23 ' A' ' 91' ' ' THR . 22.5 pttp -140.77 137.33 33.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.263 0.554 . . . . 0.0 111.864 -173.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -104.85 146.86 28.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.129 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 89' ' ' ILE . 3.0 mp -103.17 129.65 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.912 -173.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -135.38 165.84 24.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -141.21 159.45 42.19 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.081 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -56.9 134.66 55.64 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.383 179.512 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.931 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.528 HG22 ' OG1' ' A' ' 14' ' ' THR . 57.0 p -101.68 128.51 47.95 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.46 ' HA ' ' H ' ' A' ' 106' ' ' GLU . 7.9 m0 -131.38 100.75 5.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.934 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 13.0 tptm -168.49 166.99 11.97 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.626 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -111.63 120.1 61.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.91 -124.35 36.39 Favored Glycine 0 CA--C 1.518 0.227 0 CA-C-N 115.794 -0.639 . . . . 0.0 114.626 168.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.07 -19.74 66.23 Favored Glycine 0 N--CA 1.454 -0.16 0 CA-C-N 115.1 -0.55 . . . . 0.0 114.037 -172.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.839 HD13 ' HE2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -102.6 149.1 24.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 117.064 0.432 . . . . 0.0 110.039 177.754 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -130.66 154.95 47.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.885 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.934 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 1.5 tt -156.16 134.86 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -175.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.575 ' H ' ' HB3' ' A' ' 25' ' ' LYS . 11.3 m -142.72 128.07 18.84 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 23' ' ' THR . 47.0 mt -116.13 104.83 17.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -106.1 148.11 28.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.507 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 7.4 pm0 -148.82 133.81 18.13 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.136 0.493 . . . . 0.0 111.487 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -108.09 93.04 4.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.219 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.63 -101.0 1.13 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.118 -171.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -123.77 94.51 4.26 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.568 0.699 . . . . 0.0 109.251 170.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 24.8 ttmm -171.7 103.2 0.19 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 174.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.429 ' CE1' HD21 ' A' ' 39' ' ' LEU . 6.3 m-85 -104.34 134.42 47.59 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.255 0.55 . . . . 0.0 111.381 -173.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.638 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.2 t -128.43 130.18 47.24 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.576 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.924 ' HB ' HG12 ' A' ' 35' ' ' VAL . 72.2 t -106.95 132.65 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 56.3 tttp -101.46 111.03 23.14 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.81 143.51 32.72 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.1 -177.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.2 m -155.16 132.17 10.83 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.65 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.6 m -160.26 121.94 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.576 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 65.02 -68.79 0.1 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -162.75 56.68 0.21 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.169 0.509 . . . . 0.0 111.565 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.17 144.27 8.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 172.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -132.39 126.54 33.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.138 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.0 tt -153.49 141.54 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.895 0.379 . . . . 0.0 111.795 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.68 141.65 36.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.177 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.924 HG12 ' HB ' ' A' ' 24' ' ' VAL . 8.4 p -108.75 130.3 61.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 p -120.58 134.43 64.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.653 -177.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.67 ' HE2' HG13 ' A' ' 35' ' ' VAL . 17.4 p90 -161.0 142.48 11.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.405 0.622 . . . . 0.0 111.495 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.567 ' HB2' HG21 ' A' ' 41' ' ' VAL . 53.8 mt-10 -104.11 148.15 26.6 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.468 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.634 ' H ' HD22 ' A' ' 39' ' ' LEU . 2.2 mm? -61.61 119.94 9.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -174.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.58 38.15 28.93 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.684 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.567 HG21 ' HB2' ' A' ' 38' ' ' GLU . 97.2 t -124.98 133.76 68.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.861 0.362 . . . . 0.0 110.528 178.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -103.8 130.5 51.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 43.2 p90 -157.16 159.53 37.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.818 0.342 . . . . 0.0 111.38 -172.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -103.86 136.11 44.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.455 175.049 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -146.33 131.88 18.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.081 0.467 . . . . 0.0 110.825 -174.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.7 t -102.83 123.27 46.17 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.672 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 5.5 mp -108.71 124.09 50.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.379 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.29 33.61 18.68 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.919 0.762 . . . . 0.0 111.569 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 52.34 39.73 27.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.085 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.99 -69.79 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.589 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.672 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 30.7 p -73.27 126.37 29.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.013 0.406 . . . . 0.0 110.121 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -119.08 90.87 3.42 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.462 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 10.8 mp -103.59 124.21 48.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.109 -174.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 4.2 m -112.85 110.57 20.76 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.595 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.34 166.36 38.8 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 118.894 -1.622 . . . . 0.0 114.166 -172.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 9.3 t -105.06 144.23 32.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.193 -0.503 . . . . 0.0 110.336 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.444 ' HE3' ' CE1' ' A' ' 68' ' ' PHE . 42.5 t-105 -125.57 138.12 53.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.372 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.5 p -136.46 131.85 34.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.715 0.293 . . . . 0.0 110.898 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.497 ' H ' HD12 ' A' ' 39' ' ' LEU . 26.8 ttt -115.69 107.0 14.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 173.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -103.66 104.48 14.53 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.65 -121.96 11.55 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.105 -171.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.559 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . 55.0 m-80 -108.44 43.89 1.18 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.202 0.525 . . . . 0.0 109.815 174.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 59' ' ' MET . 4.7 mptp? -126.02 124.36 40.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.589 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 50.0 mt -110.64 105.75 14.76 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.051 -177.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.568 HG22 HG13 ' A' ' 80' ' ' VAL . 26.1 t -141.31 140.88 31.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.374 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.51 -150.13 6.95 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -163.96 124.64 2.19 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.595 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 10.1 m-85 -123.5 141.96 51.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.071 0.462 . . . . 0.0 110.273 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.66 ' HG2' HG13 ' A' ' 71' ' ' VAL . 33.5 ttmt -103.13 107.08 17.75 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.154 -175.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.502 ' NE ' ' HA ' ' A' ' 51' ' ' THR . 13.7 tpt180 -86.09 75.41 9.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.505 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.66 HG13 ' HG2' ' A' ' 69' ' ' LYS . 9.0 m -61.22 -35.33 65.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.419 -175.343 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.61 -43.59 80.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.743 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.433 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 41.8 t30 -95.67 -44.46 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.574 -175.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.1 -77.3 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.197 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 12.5 pttp -168.29 -26.68 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.501 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 35.1 mt-10 -149.59 117.87 6.43 Favored 'General case' 0 CA--C 1.508 -0.659 0 O-C-N 121.58 -0.7 . . . . 0.0 111.605 -175.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 62.1 tp -128.67 104.62 7.75 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.425 HG22 HG23 ' A' ' 80' ' ' VAL . 14.6 mt -114.29 149.14 16.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.842 -169.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.568 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -124.85 119.48 28.97 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 173.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.568 HG13 HG22 ' A' ' 65' ' ' VAL . 93.4 t -136.06 124.29 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.407 -175.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 12.8 tpt180 -166.01 154.43 10.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.026 0.441 . . . . 0.0 111.67 177.557 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -109.74 163.09 13.83 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.394 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.559 ' HB ' ' HB3' ' A' ' 62' ' ' ASN . 14.9 mm -101.11 124.98 55.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -114.64 128.08 56.12 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.66 -114.22 5.4 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -175.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -138.36 93.39 2.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.384 1.088 . . . . 0.0 109.928 162.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -170.53 141.48 1.93 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 113.846 -1.524 . . . . 0.0 107.975 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.2 tp -112.71 125.09 53.93 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.213 0.53 . . . . 0.0 111.096 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.618 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.2 mp -104.28 147.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 170.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 3.6 tp-100 -130.79 118.4 20.77 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.663 -176.132 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.661 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -105.11 126.23 51.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.642 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.59 110.97 23.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.553 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.582 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 6.8 m -105.28 104.43 14.16 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.323 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.501 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 19.3 t80 -104.65 115.84 31.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.745 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 65.6 -62.77 0.22 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.009 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.73 35.34 0.25 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.565 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 93' ' ' THR . 18.8 m -141.96 140.01 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -122.61 142.11 51.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.395 0.617 . . . . 0.0 111.56 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.76 129.05 19.92 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.661 ' HB3' HG23 ' A' ' 91' ' ' THR . 58.7 pttt -122.09 140.43 52.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.217 0.532 . . . . 0.0 111.974 -172.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -116.8 140.37 49.51 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.507 HG23 HG13 ' A' ' 89' ' ' ILE . 66.1 mt -102.3 126.19 56.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.077 0.465 . . . . 0.0 111.45 -172.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.5 166.32 17.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.448 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.27 165.32 23.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.413 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.26 127.91 33.53 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.46 ' H ' ' HA ' ' A' ' 6' ' ' TRP . 6.0 tp10 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.769 -0.634 . . . . 0.0 110.101 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.83 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.539 HG22 ' OG1' ' A' ' 14' ' ' THR . 61.2 p -100.95 124.6 46.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.01 0.434 . . . . 0.0 110.055 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.488 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 5.9 m0 -127.18 103.91 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -176.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.848 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 14.3 tptm -166.95 169.65 12.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.286 0.565 . . . . 0.0 112.433 -175.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.42 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 65.8 t -100.24 145.67 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.242 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.86 135.24 15.74 Favored Glycine 0 C--N 1.334 0.437 0 O-C-N 123.582 0.551 . . . . 0.0 113.709 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.37 -36.92 3.88 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -175.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 1.032 HD22 ' HA ' ' A' ' 28' ' ' SER . 12.5 mt -105.6 164.3 12.01 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -140.08 148.88 42.39 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.848 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 3.4 tt -153.97 132.4 12.04 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.539 ' OG1' HG22 ' A' ' 5' ' ' THR . 5.7 m -140.19 126.96 20.53 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -175.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 23' ' ' THR . 59.4 mt -117.81 121.11 66.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -122.7 144.18 49.31 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.12 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.732 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -144.03 137.62 27.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.932 0.396 . . . . 0.0 111.722 179.388 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -85.44 -134.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.29 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.04 94.84 Favored Glycine 0 C--N 1.335 0.498 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 171.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -163.17 96.67 0.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.128 -1.036 . . . . 0.0 108.378 167.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.732 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 25.8 mttp -169.89 105.55 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.482 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -104.22 135.37 45.81 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.465 -175.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 15.0 t -135.2 137.65 42.85 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.506 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 97.8 t -119.48 127.4 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.183 -176.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.693 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 87.5 tttt -102.24 111.44 23.72 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.0 141.43 36.2 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.418 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 38.9 m -158.3 114.2 2.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 176.245 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 1.032 ' HA ' HD22 ' A' ' 11' ' ' LEU . 39.8 m -151.48 115.07 4.86 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.43 -176.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m120 67.11 -54.46 0.46 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.051 0.94 . . . . 0.0 112.593 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.03 49.36 0.4 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.448 0.642 . . . . 0.0 109.331 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.492 ' O ' ' HA ' ' A' ' 27' ' ' SER . 3.5 mtp180 -140.05 142.51 36.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.611 -172.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -156.32 103.36 2.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.365 -0.834 . . . . 0.0 108.824 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.554 HD11 HD22 ' A' ' 47' ' ' LEU . 4.3 tt -161.14 139.14 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.369 -171.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 2.8 m-20 -109.8 141.63 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.47 HG12 ' HD2' ' A' ' 37' ' ' PHE . 40.5 t -116.11 117.72 56.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.38 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 p -111.94 134.66 53.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.628 0.252 . . . . 0.0 110.556 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.47 ' HD2' HG12 ' A' ' 35' ' ' VAL . 19.0 p90 -159.96 145.44 15.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.394 0.616 . . . . 0.0 111.392 -173.731 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.772 ' H ' ' HZ ' ' A' ' 43' ' ' PHE . 55.3 mt-10 -104.43 144.06 32.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.293 175.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.638 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.3 mp -59.86 125.41 23.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.363 -173.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.09 38.59 54.93 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.982 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.4 t -131.38 148.88 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.44 136.02 43.02 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.772 ' HZ ' ' H ' ' A' ' 38' ' ' GLU . 35.1 m-85 -131.24 149.03 52.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.666 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -139.7 107.68 5.71 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -158.54 168.37 27.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.049 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.509 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 15.0 t -99.95 123.07 43.8 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.709 0.766 . . . . 0.0 110.268 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.554 HD22 HD11 ' A' ' 33' ' ' ILE . 81.2 mt -103.79 137.91 41.13 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.047 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.87 30.47 15.94 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.596 0.56 . . . . 0.0 111.608 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 54.59 44.16 29.1 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.844 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.13 -57.51 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.295 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.507 HG22 ' CZ ' ' A' ' 70' ' ' ARG . 44.6 p -74.33 116.3 14.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.125 0.462 . . . . 0.0 109.858 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HG2' ' HB2' ' A' ' 46' ' ' SER . 90.9 mt-10 -106.26 97.93 7.67 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.745 HD21 HD23 ' A' ' 77' ' ' LEU . 10.7 mp -104.3 129.11 52.17 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.84 -171.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.666 HG23 ' HB2' ' A' ' 44' ' ' ALA . 10.2 m -111.27 111.35 22.35 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 171.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.592 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -167.19 165.23 38.46 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.429 -1.367 . . . . 0.0 113.552 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.8 t -110.28 144.66 38.65 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.512 -0.344 . . . . 0.0 110.484 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.525 ' HZ2' ' HB3' ' A' ' 64' ' ' LEU . 29.8 t-105 -114.02 136.22 53.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.768 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.4 p -138.2 135.49 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.642 0.258 . . . . 0.0 110.514 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.1 ttt -107.43 113.41 26.74 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.546 ' O ' ' HE3' ' A' ' 63' ' ' LYS . 56.0 mm-40 -103.53 104.67 14.76 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.95 -118.5 13.34 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.105 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -107.34 40.32 1.71 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.036 0.446 . . . . 0.0 110.315 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.614 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -120.85 131.22 54.29 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.892 176.205 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.525 ' HB3' ' HZ2' ' A' ' 57' ' ' TRP . 71.1 mt -110.72 111.92 23.44 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.902 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.451 ' HA ' HG12 ' A' ' 80' ' ' VAL . 77.2 t -132.81 123.19 48.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.79 -174.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.512 ' HA3' ' CE3' ' A' ' 57' ' ' TRP . . . -142.04 122.0 1.92 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 177.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HA ' HG12 ' A' ' 78' ' ' ILE . 86.7 tttt -105.92 104.73 14.5 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.618 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 7.1 m-85 -114.9 148.5 38.56 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.572 -175.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 9.5 ttpp -103.73 114.69 29.14 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.456 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.678 ' HD2' ' H ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -85.72 71.21 10.72 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 174.773 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 p -54.48 -24.79 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.52 -173.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.552 ' HB3' ' HD3' ' A' ' 70' ' ' ARG . 16.3 t70 -57.43 -31.18 65.63 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.791 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -171.06 -39.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.678 ' H ' ' HD2' ' A' ' 70' ' ' ARG . . . -83.59 -23.27 54.12 Favored Glycine 0 CA--C 1.507 -0.409 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.966 -169.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HG3' ' HG3' ' A' ' 76' ' ' GLU . 17.5 tppt? 73.84 -43.59 0.55 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.446 0.698 . . . . 0.0 112.081 -177.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.517 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 51.9 mt-10 -150.87 109.25 3.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.082 -0.386 . . . . 0.0 110.9 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.745 HD23 HD21 ' A' ' 53' ' ' LEU . 58.5 tp -116.32 104.87 11.92 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.491 173.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.481 HG22 HG13 ' A' ' 80' ' ' VAL . 68.8 mt -108.57 124.23 64.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.454 -174.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HB3' ' HZ3' ' A' ' 57' ' ' TRP . . . -104.06 124.82 49.74 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.209 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.481 HG13 HG22 ' A' ' 78' ' ' ILE . 2.2 m -145.06 130.64 13.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.405 -172.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.745 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 22.7 tpt180 -166.65 151.94 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 172.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.614 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 21.7 pt-20 -103.68 163.47 12.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.169 172.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.2 mm -102.05 125.21 56.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.646 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 13.0 m -103.44 108.73 20.09 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.95 -119.85 18.8 Favored Glycine 0 C--N 1.333 0.401 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -171.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -123.15 95.97 4.82 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.247 165.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' ' 84' ' ' SER . 16.6 pt-20 -170.21 148.92 3.38 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.6 tp -122.38 123.56 41.65 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 119.564 -0.855 . . . . 0.0 111.675 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.745 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 3.7 mp -104.67 155.92 6.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 167.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 3.8 tp-100 -135.19 115.72 13.68 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 118.823 0.738 . . . . 0.0 110.56 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.558 HG23 ' HB3' ' A' ' 100' ' ' LYS . 1.3 m -106.17 127.89 53.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.551 ' HD2' HD11 ' A' ' 77' ' ' LEU . 7.4 m-85 -104.0 114.61 28.98 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.175 170.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 25.6 m -99.26 103.47 15.32 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 174.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.517 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -111.5 122.35 47.61 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.682 -171.182 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 67.91 -62.83 0.34 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.978 0.799 . . . . 0.0 111.049 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.16 25.98 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.278 -0.487 . . . . 0.0 112.065 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 93' ' ' THR . 15.6 m -133.01 139.57 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.67 0.272 . . . . 0.0 110.608 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.2 134.14 49.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.164 0.506 . . . . 0.0 111.348 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.15 129.67 32.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.558 ' HB3' HG23 ' A' ' 91' ' ' THR . 53.4 pttt -132.8 142.1 48.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.387 0.613 . . . . 0.0 112.173 -172.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -120.0 143.11 48.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.804 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.537 HG13 HG13 ' A' ' 89' ' ' ILE . 13.9 tt -101.98 134.2 43.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.537 0.684 . . . . 0.0 111.869 -173.39 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.437 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . 19.0 m-85 -135.18 166.76 22.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.776 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 157.55 44.75 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.695 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -67.73 117.16 9.28 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.62 -177.583 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.254 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.627 HG22 ' OG1' ' A' ' 14' ' ' THR . 82.7 p -100.96 123.43 45.14 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -128.46 104.09 7.5 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.922 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 10.1 tptm -166.64 169.49 13.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.149 0.499 . . . . 0.0 111.441 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -99.83 146.5 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.182 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.31 132.49 3.44 Favored Glycine 0 C--N 1.336 0.559 0 O-C-N 123.781 0.676 . . . . 0.0 114.186 -172.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.79 -34.71 5.14 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.849 HD22 ' HA ' ' A' ' 28' ' ' SER . 25.2 mt -104.9 165.69 10.9 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -143.77 148.9 36.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.606 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.922 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 1.2 tt -154.91 123.26 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.627 ' OG1' HG22 ' A' ' 5' ' ' THR . 8.7 m -142.3 135.93 29.23 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.45 -177.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.544 HG12 ' HA ' ' A' ' 24' ' ' VAL . 36.4 mt -129.47 127.86 65.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 175.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.0 m -113.34 132.06 55.73 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 173.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.8 pm0 -130.96 147.73 52.63 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.672 -170.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -135.51 95.53 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.057 0.456 . . . . 0.0 110.363 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.14 -68.89 1.67 Allowed Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.45 -174.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.488 ' HB2' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -162.11 97.52 1.03 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.929 0.871 . . . . 0.0 109.24 168.533 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 29.6 ttpt -169.55 104.82 0.35 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD1' HD21 ' A' ' 39' ' ' LEU . 3.9 m-85 -107.47 136.07 47.87 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.511 -172.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 14.8 t -129.43 129.15 44.3 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 173.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.663 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 57.7 t -103.89 126.88 58.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 -171.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.724 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 52.0 tttp -101.8 102.97 13.66 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 172.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -112.99 137.06 51.96 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.336 0.589 . . . . 0.0 111.055 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 15.5 m -151.77 117.92 5.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.965 178.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.849 ' HA ' HD22 ' A' ' 11' ' ' LEU . 70.9 m -153.68 144.38 22.57 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.6 m120 65.21 -77.46 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.96 0.788 . . . . 0.0 110.933 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -171.71 58.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.125 0.488 . . . . 0.0 111.039 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -157.47 138.35 13.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.777 173.328 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -118.41 134.11 55.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.554 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.3 tp -159.71 146.66 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.642 0.258 . . . . 0.0 111.06 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.663 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 24.5 p-10 -120.41 141.08 50.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 110.776 177.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.1 t -128.68 112.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.097 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 9.9 p -103.6 134.32 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.884 0.373 . . . . 0.0 110.5 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 12.0 p90 -153.99 150.17 27.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.865 -174.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.555 ' HB3' HG21 ' A' ' 41' ' ' VAL . 67.9 tt0 -103.24 141.43 35.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.488 HD23 ' HB2' ' A' ' 20' ' ' ASN . 3.9 mm? -62.55 126.56 27.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.198 0.523 . . . . 0.0 111.429 -173.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.89 30.28 61.72 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.596 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 38' ' ' GLU . 88.9 t -119.26 139.0 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 122.621 -0.341 . . . . 0.0 110.528 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -102.77 137.96 40.29 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 45.8 p90 -161.78 153.28 18.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.846 0.355 . . . . 0.0 111.019 -173.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.42 129.67 50.58 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -140.42 136.62 33.25 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.086 -173.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 51' ' ' THR . 29.1 t -103.99 130.0 51.62 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.175 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.666 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 88.3 mt -117.0 135.1 53.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.623 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.73 29.93 14.71 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.43 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 50.93 40.43 25.14 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.265 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.88 -55.88 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.285 -0.96 . . . . 0.0 113.219 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.666 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 12.2 p -76.81 132.6 39.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.378 0.589 . . . . 0.0 109.759 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -124.05 97.54 5.39 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.559 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 9.3 mp -104.01 128.95 51.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.531 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 m -118.71 111.14 18.12 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.95 165.31 38.45 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 119.023 -1.56 . . . . 0.0 114.086 -174.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 t -104.67 143.64 32.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.278 -0.461 . . . . 0.0 109.832 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.484 ' CZ2' ' HB3' ' A' ' 64' ' ' LEU . 67.9 t-105 -123.55 137.87 54.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.757 -0.201 . . . . 0.0 110.933 -177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.5 p -137.32 148.2 46.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 110.85 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.607 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.9 ttt -133.7 113.0 11.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 174.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -103.53 104.77 14.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.161 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.04 -79.52 0.1 Allowed Glycine 0 C--N 1.331 0.277 0 O-C-N 123.437 0.46 . . . . 0.0 112.608 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.494 ' HB2' ' HB ' ' A' ' 83' ' ' ILE . 10.9 p30 -144.5 41.12 1.34 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.51 0.671 . . . . 0.0 109.415 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.607 ' O ' ' HA ' ' A' ' 59' ' ' MET . 27.0 mmtp -124.93 117.12 23.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.953 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.484 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 75.3 mt -103.81 105.61 15.88 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.287 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.421 HG22 HG13 ' A' ' 80' ' ' VAL . 24.9 t -142.78 142.05 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.528 -172.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.02 -147.8 5.66 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HA ' HG12 ' A' ' 78' ' ' ILE . 34.8 ttmt -166.05 117.7 1.05 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.464 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 9.3 m-85 -120.61 140.2 51.88 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.113 0.482 . . . . 0.0 110.575 -177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.744 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 53.3 tttm -104.59 113.21 26.63 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.217 -175.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.562 ' HG3' ' HB3' ' A' ' 73' ' ' ASN . 13.4 tpt180 -95.91 74.72 3.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.648 -178.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.97 -38.9 83.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.933 -172.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -80.31 36.56 0.36 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.898 0.38 . . . . 0.0 111.709 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.562 ' HB3' ' HG3' ' A' ' 70' ' ' ARG . 54.4 t30 -166.16 -43.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.922 0.391 . . . . 0.0 110.345 176.44 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.03 -90.62 0.08 OUTLIER Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.635 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.744 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 61.1 pttt -170.62 -28.12 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 176.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 94' ' ' TYR . 40.6 mt-10 -145.53 115.19 7.26 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.704 -172.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 94' ' ' TYR . 64.5 tp -132.28 105.07 7.09 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.047 173.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.446 HG12 ' HA ' ' A' ' 67' ' ' LYS . 51.5 mt -114.79 139.31 41.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.137 -171.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.544 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -107.23 127.77 53.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.421 HG13 HG22 ' A' ' 65' ' ' VAL . 89.8 t -140.74 128.18 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.737 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 22.0 tpt180 -166.38 147.38 6.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.037 0.446 . . . . 0.0 112.107 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.446 ' CB ' ' HD3' ' A' ' 63' ' ' LYS . 5.9 pm0 -104.59 150.15 24.9 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.354 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.494 ' HB ' ' HB2' ' A' ' 62' ' ' ASN . 4.7 mp -103.37 116.1 46.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.478 ' O ' ' HG3' ' A' ' 87' ' ' GLU . 8.0 m -104.69 126.75 52.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.153 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.98 -120.42 21.59 Favored Glycine 0 C--N 1.334 0.442 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.38 97.84 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.057 0.932 . . . . 0.0 110.304 166.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 84' ' ' SER . 2.2 pp20? -170.57 166.57 8.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.632 175.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.0 tp -147.07 123.21 10.82 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.807 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.737 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 54.0 mt -103.38 159.67 4.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 168.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -136.53 121.47 18.8 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 121.757 -0.589 . . . . 0.0 110.723 -175.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.833 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -110.1 125.97 53.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.78 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -104.72 113.3 26.79 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 170.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 98' ' ' GLU . 10.7 m -103.32 103.56 13.58 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.643 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.537 ' HB2' HD13 ' A' ' 77' ' ' LEU . 23.3 t80 -108.4 122.88 47.92 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.226 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 53.15 48.0 23.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.951 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.87 -11.47 53.51 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.802 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.1 t -102.82 119.02 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 117.538 0.669 . . . . 0.0 110.509 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 93' ' ' THR . 15.5 pt-20 -104.96 134.54 47.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.347 0.594 . . . . 0.0 111.383 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.24 136.06 46.72 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.833 ' HB3' HG23 ' A' ' 91' ' ' THR . 21.9 pttm -136.63 142.81 43.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.51 0.672 . . . . 0.0 112.519 -173.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -121.02 149.58 42.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.391 175.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.47 HG12 HG12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.96 134.32 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.42 0.628 . . . . 0.0 111.39 -172.454 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -131.06 166.4 21.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.791 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.98 165.3 30.26 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.714 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -58.2 127.92 34.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.194 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.134 179.655 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.911 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 39.0 p -101.14 123.54 45.45 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.421 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 13.3 m0 -116.22 103.52 10.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.708 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.673 ' HE2' ' HB2' ' A' ' 11' ' ' LEU . 6.6 mmmt -166.08 170.32 13.61 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.989 0.9 . . . . 0.0 113.219 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.647 HG22 ' HE3' ' A' ' 104' ' ' LYS . 49.4 t -99.27 143.03 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 113.563 -1.653 . . . . 0.0 108.023 172.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.87 126.06 6.75 Favored Glycine 0 C--N 1.331 0.295 0 O-C-N 123.682 0.614 . . . . 0.0 113.207 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.69 -49.84 0.9 Allowed Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 121.154 -0.546 . . . . 0.0 111.759 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.673 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -108.72 165.02 11.87 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.165 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -133.04 136.06 45.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.351 0.596 . . . . 0.0 110.864 175.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.711 HD21 HG13 ' A' ' 24' ' ' VAL . 4.5 tt -132.84 131.69 41.3 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.532 ' N ' HD23 ' A' ' 13' ' ' LEU . 6.5 m -135.82 125.84 26.03 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.983 0.42 . . . . 0.0 110.855 -174.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.532 HG12 ' HA ' ' A' ' 24' ' ' VAL . 65.5 mt -126.04 119.32 54.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.028 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 m -131.32 129.49 41.51 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.6 pm0 -112.58 134.89 53.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.309 0.576 . . . . 0.0 110.954 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -107.67 90.56 3.34 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.007 175.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.97 -106.59 2.31 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -168.158 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -124.32 98.55 5.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 37.7 tttm -169.8 105.21 0.34 Allowed 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -104.86 148.01 27.12 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.357 0.599 . . . . 0.0 111.392 -171.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.6 t -155.77 130.4 9.07 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.367 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.711 HG13 HD21 ' A' ' 13' ' ' LEU . 95.7 t -104.71 122.3 57.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.877 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.705 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 79.3 tttt -101.98 103.7 14.34 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -104.49 132.99 50.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.969 0.414 . . . . 0.0 110.356 -176.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 5.8 m -139.66 138.79 36.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.416 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.557 ' HA ' HD22 ' A' ' 11' ' ' LEU . 65.9 m -160.07 131.35 5.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.428 0.156 . . . . 0.0 110.959 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 m120 68.4 -64.42 0.3 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.974 0.796 . . . . 0.0 112.707 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -170.7 56.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.298 0.571 . . . . 0.0 110.135 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 28' ' ' SER . 24.3 ptt85 -166.03 165.09 18.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.203 -177.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.95 138.56 14.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.62 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.783 HD11 ' HB3' ' A' ' 47' ' ' LEU . 10.9 tt -155.13 133.35 2.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.564 -174.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.547 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 29.8 p-10 -106.09 137.85 43.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.475 0.655 . . . . 0.0 111.775 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 23' ' ' THR . 40.9 t -107.1 113.61 43.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.212 -0.904 . . . . 0.0 108.607 173.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.9 p -103.91 133.78 46.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.602 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.672 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -164.58 132.51 3.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.332 0.587 . . . . 0.0 111.203 -176.097 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -104.7 137.84 41.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.945 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.676 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.9 mp -49.98 120.8 4.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.206 -171.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.11 36.28 90.15 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.688 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.9 t -130.3 145.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.452 ' HB3' ' HB ' ' A' ' 56' ' ' THR . 32.3 p-10 -100.4 143.99 29.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.076 0.465 . . . . 0.0 109.801 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 54' ' ' THR . 22.1 p90 -148.77 149.04 30.7 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.875 -169.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.74 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -136.95 122.95 20.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.437 -178.087 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -166.36 163.81 17.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.484 ' HB3' ' HG2' ' A' ' 52' ' ' GLU . 75.2 p -103.96 127.37 51.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.056 177.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.783 ' HB3' HD11 ' A' ' 33' ' ' ILE . 53.9 mt -103.62 126.51 50.81 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.412 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 53.28 31.87 12.54 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.025 0.828 . . . . 0.0 111.61 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 49.15 44.12 22.89 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.785 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.44 -57.04 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.379 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.533 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 58.4 p -95.69 123.48 39.27 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.557 -0.378 . . . . 0.0 110.098 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' A' ' 46' ' ' SER . 46.1 mt-10 -118.89 90.73 3.39 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.65 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.758 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 9.5 mp -103.24 120.36 40.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.203 0.525 . . . . 0.0 111.189 -173.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.74 HG23 ' HB2' ' A' ' 44' ' ' ALA . 10.6 m -104.17 111.58 24.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.342 172.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.557 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -165.98 166.74 38.84 Favored Glycine 0 N--CA 1.437 -1.296 0 C-N-CA 118.664 -1.731 . . . . 0.0 114.076 -172.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.452 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -136.75 136.85 39.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.03 -0.585 . . . . 0.0 109.547 177.578 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.74 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -128.45 157.75 40.25 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.525 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.1 p -120.68 141.49 50.36 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.155 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.654 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.4 ttt -111.03 118.17 35.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.354 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -139.72 123.45 17.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.647 178.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.28 44.51 94.99 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.942 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.7 m120 64.63 44.6 3.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.26 0.552 . . . . 0.0 110.734 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.654 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.7 OUTLIER -132.49 131.85 42.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.527 175.055 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.534 HD22 ' HE1' ' A' ' 57' ' ' TRP . 37.5 mt -114.7 103.23 10.78 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.414 -177.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.688 HG22 HG13 ' A' ' 80' ' ' VAL . 44.9 t -145.55 120.86 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.65 0.262 . . . . 0.0 111.283 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.74 ' HA3' ' HA ' ' A' ' 57' ' ' TRP . . . -143.05 -136.55 3.19 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.734 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.537 ' C ' ' HD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -160.75 116.49 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.512 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.77 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -123.89 142.6 50.99 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -174.103 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.758 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 3.6 ttmp? -106.8 125.44 51.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.942 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.665 ' HD2' ' HB3' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -116.95 80.29 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.081 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.12 -33.5 62.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' HB3' ' HE ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -57.5 -38.02 73.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.553 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.665 ' HB3' ' HD2' ' A' ' 70' ' ' ARG . 48.7 t30 -106.6 -37.05 6.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.038 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -154.32 -105.85 0.26 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.15 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.599 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 26.9 ttpp -152.85 -30.61 0.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.492 -176.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.456 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 46.5 mt-10 -144.41 120.58 10.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.947 0.403 . . . . 0.0 111.532 -175.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.77 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 64.0 tp -135.39 103.99 5.69 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.8 mt -103.25 142.71 16.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.449 -166.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -102.25 117.15 34.15 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.433 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.688 HG13 HG22 ' A' ' 65' ' ' VAL . 96.1 t -136.91 125.94 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.26 -177.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.731 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 17.0 tpt180 -166.36 150.66 7.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.091 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.643 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 16.9 pt-20 -119.12 149.86 41.0 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.529 HG13 HD13 ' A' ' 88' ' ' LEU . 4.7 mp -102.43 124.71 56.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -176.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -118.47 130.91 56.21 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.7 -127.04 43.6 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -175.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.02 95.23 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.481 168.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 83' ' ' ILE . 26.9 pt-20 -171.62 166.39 6.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 175.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.529 HD13 HG13 ' A' ' 83' ' ' ILE . 54.9 tp -152.14 128.49 10.6 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.799 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.731 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 17.0 mm -102.96 164.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 170.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -141.03 107.92 5.41 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.95 -0.469 . . . . 0.0 110.072 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.845 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -104.76 128.13 52.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.541 -175.297 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.745 ' HB3' HD11 ' A' ' 77' ' ' LEU . 22.9 m-85 -103.85 111.76 24.43 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.459 170.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 98' ' ' GLU . 10.3 m -102.99 106.34 16.84 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.996 0.427 . . . . 0.0 110.017 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.716 ' HB2' HD13 ' A' ' 77' ' ' LEU . 32.0 t80 -103.59 124.55 49.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.208 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 64.32 -72.06 0.06 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 124.07 0.856 . . . . 0.0 111.542 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.68 24.59 0.26 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.0 m -133.08 141.69 44.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.618 ' HB2' HG22 ' A' ' 91' ' ' THR . 11.3 pt-20 -118.91 126.04 50.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.512 0.672 . . . . 0.0 111.877 -175.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.29 133.63 52.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 173.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.845 ' HB3' HG23 ' A' ' 91' ' ' THR . 13.1 ptpt -128.22 139.41 52.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.746 0.784 . . . . 0.0 112.695 -172.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HG2' ' CZ ' ' A' ' 103' ' ' PHE . 8.2 tpt180 -105.46 139.32 40.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.458 175.063 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.421 HG23 ' CD1' ' A' ' 89' ' ' ILE . 68.2 mt -103.54 133.67 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.884 0.373 . . . . 0.0 111.575 -173.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.451 ' CD1' ' HD3' ' A' ' 7' ' ' LYS . 68.1 m-85 -139.04 161.78 36.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.39 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.647 ' HE3' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -153.06 153.08 32.13 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.541 ' HD3' ' N ' ' A' ' 106' ' ' GLU . 7.6 tmtt? -60.69 127.17 30.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.617 0.246 . . . . 0.0 110.693 -177.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.541 ' N ' ' HD3' ' A' ' 105' ' ' LYS . 30.7 tt0 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.595 -0.716 . . . . 0.0 110.052 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.967 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.445 HG22 ' OG1' ' A' ' 14' ' ' THR . 13.0 p -100.86 128.39 46.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.146 0.498 . . . . 0.0 110.607 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.423 ' HD1' ' C ' ' A' ' 5' ' ' THR . 12.2 m0 -127.63 103.82 7.53 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.094 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 22.0 tptt -166.19 166.88 16.65 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.77 HG22 ' HE3' ' A' ' 104' ' ' LYS . 35.9 t -103.52 142.25 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 113.644 -1.617 . . . . 0.0 108.409 170.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.1 141.45 20.53 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 121.667 -0.301 . . . . 0.0 113.679 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.18 -33.9 5.21 Favored Glycine 0 C--N 1.331 0.29 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.9 HD12 ' HE3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -138.4 164.78 28.47 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 176.406 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.567 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 20.5 ptmt -140.05 150.99 45.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 118.594 0.634 . . . . 0.0 111.255 -177.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.094 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 1.4 tt -142.89 133.26 24.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.748 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.445 ' OG1' HG22 ' A' ' 5' ' ' THR . 8.8 m -136.14 130.11 32.79 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.79 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -124.48 125.69 70.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.0 m -135.92 146.97 47.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 2.8 pp0? -130.23 165.09 23.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.211 0.529 . . . . 0.0 111.453 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -147.15 78.3 1.48 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.994 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.69 -103.38 2.83 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -167.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.42 ' HB3' HD13 ' A' ' 39' ' ' LEU . 79.1 m-20 -131.78 96.32 3.92 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 164.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 1.9 ttmp? -169.4 106.53 0.39 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.548 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 7.8 m-85 -108.04 130.69 55.06 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.067 -172.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -113.48 139.89 48.57 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 173.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.602 HG13 HD21 ' A' ' 13' ' ' LEU . 56.8 t -121.4 127.74 75.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.01 -173.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.841 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 17.3 tttm -103.06 104.38 14.55 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 178.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.44 166.68 10.28 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 174.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.982 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 71.1 m -156.58 114.08 3.2 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.067 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 18.9 m -148.25 103.58 3.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.594 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 28' ' ' SER . 50.5 t-20 163.56 -72.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 105.515 -2.031 . . . . 0.0 105.515 -177.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.413 ' C ' ' HD2' ' A' ' 31' ' ' ARG . 60.9 m-85 -125.92 -57.98 1.41 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 103.876 -2.638 . . . . 0.0 103.876 157.622 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.982 ' HA ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -170.41 99.92 0.26 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 113.072 -1.876 . . . . 0.0 109.697 166.769 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.629 ' O ' HG12 ' A' ' 33' ' ' ILE . 53.1 t30 -170.84 108.66 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 32' ' ' ASN . 2.3 mm -168.81 145.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.735 171.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.79 136.22 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.533 0.683 . . . . 0.0 111.285 172.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.482 HG12 ' HD2' ' A' ' 37' ' ' PHE . 58.8 t -127.79 116.63 43.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.183 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.7 p -112.1 132.9 59.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.678 0.275 . . . . 0.0 110.409 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 22' ' ' PHE . 27.7 p90 -153.52 145.5 23.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.546 0.689 . . . . 0.0 111.787 -175.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.553 ' HB2' HG21 ' A' ' 41' ' ' VAL . 46.2 mt-10 -104.47 145.2 30.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.675 174.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' A' ' 20' ' ' ASN . 10.3 mp -62.75 121.74 14.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.938 0.399 . . . . 0.0 110.809 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.99 39.54 45.86 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.682 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.553 HG21 ' HB2' ' A' ' 38' ' ' GLU . 55.3 t -130.96 138.66 53.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -101.54 137.29 40.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.697 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 32.3 p90 -155.36 165.21 37.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.232 -174.279 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.711 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -146.99 130.99 17.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.276 -177.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -165.63 168.81 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.774 175.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -99.86 126.36 45.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.515 0.674 . . . . 0.0 110.08 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.8 mt -104.39 138.75 40.34 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.164 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 33' ' ' ILE . . . 68.97 -68.22 0.19 Allowed 'General case' 0 C--O 1.234 0.264 0 O-C-N 124.452 1.095 . . . . 0.0 111.343 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 t70 176.26 20.77 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.122 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 -70.67 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 119.166 -1.493 . . . . 0.0 114.293 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.689 ' HA ' ' CZ ' ' A' ' 70' ' ' ARG . 80.7 p -58.55 122.06 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.169 0.484 . . . . 0.0 111.831 -172.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -114.38 91.01 3.48 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.716 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 11.2 mp -100.88 123.44 45.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.353 0.597 . . . . 0.0 111.41 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.711 HG23 ' HB2' ' A' ' 44' ' ' ALA . 8.2 m -104.59 111.31 23.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.145 175.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.02 165.43 38.11 Favored Glycine 0 N--CA 1.439 -1.14 0 C-N-CA 119.092 -1.528 . . . . 0.0 113.84 -175.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 8.2 t -103.42 146.37 28.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.291 -0.455 . . . . 0.0 110.046 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.593 ' HZ2' ' HB3' ' A' ' 64' ' ' LEU . 35.2 t-105 -124.42 137.09 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.461 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.6 p -131.9 143.45 50.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.326 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.478 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 26.4 ttt -128.07 107.53 9.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.037 0.446 . . . . 0.0 110.267 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -104.45 104.62 14.51 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.547 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.58 -83.48 0.28 Allowed Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 112.681 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.484 ' HB2' ' HB ' ' A' ' 83' ' ' ILE . 17.2 p30 -145.87 39.93 1.15 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.714 0.768 . . . . 0.0 109.121 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 59' ' ' MET . 12.6 mptt -125.82 126.21 44.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.372 178.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.593 ' HB3' ' HZ2' ' A' ' 57' ' ' TRP . 63.7 mt -107.16 109.58 21.44 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.744 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.575 ' HA ' HG22 ' A' ' 80' ' ' VAL . 65.9 t -135.44 140.67 44.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.664 -174.102 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.5 -160.19 10.93 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.598 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -165.07 113.19 1.02 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.687 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 5.1 m-85 -119.87 149.81 41.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.935 0.398 . . . . 0.0 111.096 -174.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.716 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 36.3 ttmt -103.67 127.05 51.17 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.941 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.728 ' HG3' ' HB3' ' A' ' 73' ' ' ASN . 22.7 tpt180 -123.0 85.13 2.37 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.107 -177.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.86 -38.71 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.268 -170.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.684 ' HB3' ' NH1' ' A' ' 70' ' ' ARG . 27.2 t70 -80.83 45.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.431 0.634 . . . . 0.0 110.979 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.728 ' HB3' ' HG3' ' A' ' 70' ' ' ARG . 42.1 t30 -166.36 -51.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.886 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.626 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . 176.56 38.29 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.812 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.476 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 65.6 pttt 43.96 32.06 0.58 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.696 1.198 . . . . 0.0 113.455 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 17.3 mt-10 -165.31 142.85 5.92 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.019 0.437 . . . . 0.0 111.713 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 40.9 tp -168.58 108.99 0.51 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.49 171.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.498 HG22 HG23 ' A' ' 80' ' ' VAL . 70.9 mt -109.69 129.07 65.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -171.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.604 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -108.02 122.48 46.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 173.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 65' ' ' VAL . 54.9 t -144.9 131.25 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -177.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.674 ' HG2' ' HB ' ' A' ' 89' ' ' ILE . 14.6 tpt180 -166.02 150.09 7.91 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 121.006 0.431 . . . . 0.0 112.033 176.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -105.08 158.42 16.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.78 176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' A' ' 62' ' ' ASN . 3.1 mp -103.16 119.98 52.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 25.3 t -107.79 122.76 47.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.956 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.57 -121.13 25.1 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -173.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.85 95.93 4.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.66 0.743 . . . . 0.0 109.205 165.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 84' ' ' SER . 12.0 pt-20 -170.5 150.09 3.39 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.437 -1.256 . . . . 0.0 107.649 174.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 tp -124.35 133.99 53.28 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.368 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.674 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 15.6 mm -113.29 156.53 14.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 171.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 7.9 tt0 -140.77 111.53 6.97 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.616 -0.433 . . . . 0.0 109.999 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.604 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -106.63 131.73 53.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.474 -176.158 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -103.23 106.91 17.53 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.9 m -104.43 136.64 43.62 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.594 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.626 ' OH ' ' HA3' ' A' ' 74' ' ' GLY . 52.8 t80 -161.33 135.77 7.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 65.79 -69.48 0.11 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.934 0.771 . . . . 0.0 112.293 174.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.29 28.62 0.11 Allowed Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.0 m -139.92 147.92 23.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.768 0.318 . . . . 0.0 110.419 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 17.9 pt-20 -126.22 126.89 44.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.482 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.47 114.8 24.73 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.574 ' HB3' HG23 ' A' ' 91' ' ' THR . 17.8 pttm -120.08 136.7 54.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.607 0.718 . . . . 0.0 111.762 -178.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.661 ' HE ' ' HZ ' ' A' ' 103' ' ' PHE . 38.2 ttp180 -106.76 138.21 43.36 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.466 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.486 HG13 HD12 ' A' ' 89' ' ' ILE . 3.3 mp -102.03 132.05 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.897 0.38 . . . . 0.0 111.5 -169.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.661 ' HZ ' ' HE ' ' A' ' 101' ' ' ARG . 5.5 m-85 -136.38 165.65 25.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.564 178.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.77 ' HE3' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.75 153.09 42.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 178.176 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -58.09 133.88 55.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.648 0.261 . . . . 0.0 110.873 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--O 1.246 0.877 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 173.941 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.024 ' HA3' HG23 ' A' ' 14' ' ' THR . . . . . . . . 0 N--CA 1.418 -2.55 0 CA-C-O 117.077 -1.957 . . . . 0.0 114.754 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.78 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -176.03 102.26 0.07 Allowed 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 122.103 -0.646 . . . . 0.0 111.248 155.261 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.587 ' CE2' ' HD3' ' A' ' 105' ' ' LYS . 12.2 m95 -140.22 98.45 3.44 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 173.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.87 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 27.2 tptt -168.82 166.66 11.4 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.864 -0.735 . . . . 0.0 112.483 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.412 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 28.7 t -103.86 137.77 31.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.497 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.22 -134.53 44.97 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.869 -0.605 . . . . 0.0 114.289 171.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.59 34.57 2.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.265 -0.493 . . . . 0.0 113.069 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' HB2' ' CG ' ' A' ' 7' ' ' LYS . 18.5 mt -120.79 143.18 48.97 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -121.45 141.71 50.74 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.074 0.464 . . . . 0.0 110.794 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.87 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 3.0 tt -141.17 132.58 26.79 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 1.024 HG23 ' HA3' ' A' ' 4' ' ' GLY . 20.2 m -128.26 129.12 45.9 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.965 -176.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.823 ' H ' ' HA2' ' A' ' 4' ' ' GLY . 57.5 mt -123.99 98.29 5.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.501 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 m -104.3 139.3 39.49 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.284 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.594 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 2.5 pp0? -149.67 144.55 26.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.392 0.615 . . . . 0.0 112.505 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -99.76 -118.06 0.15 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.141 174.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.43 -54.41 16.31 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.012 -1.09 . . . . 0.0 110.883 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -158.72 97.13 1.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.644 0.735 . . . . 0.0 109.147 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.594 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 35.9 tttm -170.78 115.85 0.46 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.592 -1.185 . . . . 0.0 107.95 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 7.3 m-85 -113.39 148.05 36.55 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.739 -174.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.497 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 15.3 t -141.13 136.05 31.5 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.861 174.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.793 HG13 HD21 ' A' ' 13' ' ' LEU . 82.1 t -113.5 129.41 69.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.296 -173.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.777 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 34.0 ttmt -101.12 110.14 22.12 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -107.94 132.48 53.45 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 120.928 0.394 . . . . 0.0 111.071 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 18.8 m -144.34 118.1 9.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.424 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 70.5 m -160.51 143.09 13.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.139 -177.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 67.04 -75.47 0.06 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 124.015 0.822 . . . . 0.0 111.194 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -167.74 57.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.197 0.522 . . . . 0.0 110.037 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.538 ' O ' ' HA ' ' A' ' 27' ' ' SER . 27.2 ptt180 -162.35 142.08 9.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.98 0.419 . . . . 0.0 111.417 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -127.04 129.06 47.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.7 tt -154.68 139.23 9.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.836 0.35 . . . . 0.0 110.566 -175.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.633 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 35.3 m-20 -110.56 133.65 53.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.363 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 23' ' ' THR . 16.3 t -110.54 110.34 31.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.5 p -103.62 138.45 28.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.581 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 18.7 p90 -159.35 145.03 16.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.459 0.647 . . . . 0.0 111.215 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.495 ' HB2' HG21 ' A' ' 41' ' ' VAL . 98.4 mt-10 -103.96 148.44 26.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.556 177.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.81 124.44 21.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.36 37.76 58.76 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.733 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 56' ' ' THR . 78.3 t -125.61 135.22 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.772 0.286 . . . . 0.0 110.545 178.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.457 ' HB3' ' HB ' ' A' ' 56' ' ' THR . 2.4 p30 -103.99 139.28 39.34 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 45.0 p90 -162.66 155.17 19.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.829 -172.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -104.42 137.19 42.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.547 175.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -155.04 142.33 19.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.683 0.277 . . . . 0.0 110.55 -175.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.3 t -102.72 128.24 49.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.868 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.525 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 95.5 mt -112.57 125.83 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.177 -176.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.85 31.11 15.05 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.38 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.2 t0 49.19 49.83 18.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.168 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.78 -53.78 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.489 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.574 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 69.2 p -92.36 122.86 35.22 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.558 -0.377 . . . . 0.0 110.102 178.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -111.2 94.74 5.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 11.2 mp -104.42 124.27 48.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.423 -173.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 6.8 m -104.83 114.25 28.34 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.585 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.36 165.64 38.39 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 118.795 -1.669 . . . . 0.0 114.725 -173.148 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 9.3 t -106.49 148.66 27.93 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.113 -0.543 . . . . 0.0 109.998 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.746 ' HZ2' ' HB3' ' A' ' 64' ' ' LEU . 66.0 t-105 -125.5 140.81 52.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.465 ' OG1' HG13 ' A' ' 65' ' ' VAL . 20.7 p -133.37 142.76 48.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.995 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.1 ttt -125.2 106.01 9.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.244 0.545 . . . . 0.0 109.786 171.214 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -103.83 108.57 19.94 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.629 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.46 -104.92 1.15 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.974 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -124.6 40.78 3.66 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.411 0.624 . . . . 0.0 109.411 175.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 4.3 mppt? -124.88 128.38 48.58 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.932 177.057 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.746 ' HB3' ' HZ2' ' A' ' 57' ' ' TRP . 45.6 mt -108.47 122.04 46.21 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.006 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.465 HG13 ' OG1' ' A' ' 58' ' ' THR . 3.1 p -160.35 152.65 4.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.454 -169.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.57 -149.93 7.23 Favored Glycine 0 N--CA 1.439 -1.136 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.334 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 5.0 ttmp? -161.72 107.03 1.29 Allowed 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.572 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.592 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 6.6 m-85 -117.48 150.35 39.07 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.739 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 5.0 ptpp? -121.83 126.36 48.6 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.331 0.586 . . . . 0.0 111.34 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.607 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -94.45 106.67 18.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.365 -179.052 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -63.55 -40.47 89.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -173.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.497 ' HB3' ' NE ' ' A' ' 70' ' ' ARG . 35.0 t70 -62.05 -37.59 85.55 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.811 0.339 . . . . 0.0 111.404 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.576 ' H ' ' HD2' ' A' ' 70' ' ' ARG . 89.4 m-20 -71.12 -48.32 52.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.704 0.764 . . . . 0.0 109.777 176.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.36 -64.48 0.14 Allowed Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.502 ' C ' ' HB2' ' A' ' 69' ' ' LYS . 19.0 ptpt 176.04 54.03 0.0 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.066 -0.567 . . . . 0.0 111.473 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.739 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 3.1 mt-10 -168.01 139.72 2.94 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 176.262 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.607 ' HB2' ' HB2' ' A' ' 70' ' ' ARG . 5.0 tt -169.13 103.64 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 168.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 58.7 mt -118.81 131.0 72.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.945 0.403 . . . . 0.0 111.876 -169.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.627 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -106.67 129.65 54.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.001 174.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.7 t -140.82 129.01 23.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.676 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 13.7 tpt180 -166.71 148.95 6.44 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.455 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 12.4 pt-20 -105.71 166.06 10.73 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 171.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.6 mm -101.79 123.18 54.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 3.7 p -108.1 122.88 47.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.51 -121.97 26.41 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -123.93 96.68 5.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 122.276 1.036 . . . . 0.0 109.15 164.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.594 ' HA ' ' HA ' ' A' ' 104' ' ' LYS . 14.2 pt-20 -169.62 166.31 9.98 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.4 tp -138.4 127.23 23.76 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.391 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.676 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 32.1 mm -104.86 150.4 7.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 171.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.2 tp-100 -131.17 112.72 13.08 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.418 -176.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.627 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -104.58 125.99 51.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.329 -176.554 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.475 ' HD2' HD21 ' A' ' 77' ' ' LEU . 21.8 m-85 -104.29 107.24 18.06 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 5.7 m -104.22 134.34 47.61 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.12 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -145.85 122.36 11.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.977 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 68.3 -60.44 0.42 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.285 0.99 . . . . 0.0 111.638 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.89 31.36 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 93' ' ' THR . 22.0 t -131.68 130.06 61.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.64 126.14 55.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.245 0.545 . . . . 0.0 110.819 176.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.34 126.14 36.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.583 ' HB3' HG23 ' A' ' 91' ' ' THR . 18.5 pttm -130.85 137.28 49.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.141 0.496 . . . . 0.0 112.09 -172.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.65 ' HD3' ' CZ ' ' A' ' 103' ' ' PHE . 32.4 ttt-85 -104.79 154.73 19.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.535 178.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.3 tt -101.58 136.43 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.314 0.578 . . . . 0.0 112.001 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.65 ' CZ ' ' HD3' ' A' ' 101' ' ' ARG . 52.6 m-85 -144.65 167.51 22.38 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -141.69 162.92 34.3 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.513 -178.521 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.587 ' HD3' ' CE2' ' A' ' 6' ' ' TRP . 23.8 tptp -68.38 131.36 45.17 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.076 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.626 ' CB ' ' HB ' ' A' ' 5' ' ' THR . 8.1 tp10 . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.989 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.097 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.569 HG22 ' OG1' ' A' ' 14' ' ' THR . 48.6 p -99.91 129.29 45.98 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 1.035 ' HZ3' ' HA ' ' A' ' 87' ' ' GLU . 23.9 m95 -136.52 103.44 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -177.185 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.833 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 33.0 tptt -166.17 167.95 15.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.901 0.381 . . . . 0.0 111.51 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.728 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . 15.3 t -100.85 155.48 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.472 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.84 139.94 9.6 Favored Glycine 0 C--N 1.335 0.511 0 O-C-N 123.412 0.445 . . . . 0.0 113.506 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.63 -36.4 3.85 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.541 -0.623 . . . . 0.0 111.541 -175.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.691 HD22 ' HA ' ' A' ' 28' ' ' SER . 13.0 mt -111.44 165.23 12.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.409 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -142.78 148.7 37.62 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.596 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.833 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 4.5 tt -150.81 132.08 14.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.087 0.47 . . . . 0.0 109.783 -175.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.729 ' H ' ' HB3' ' A' ' 25' ' ' LYS . 19.1 m -142.26 136.43 29.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.011 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 23' ' ' THR . 48.7 mt -132.8 139.63 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -134.89 130.53 36.06 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.573 ' HG2' ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -163.6 168.86 19.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.516 -170.47 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 1.022 ' H ' ' HB2' ' A' ' 20' ' ' ASN . 12.6 pt-20 -166.29 59.54 0.1 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.524 0.73 . . . . 0.0 109.82 178.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.1 63.17 3.56 Favored Glycine 0 C--N 1.343 0.953 0 N-CA-C 107.255 -2.338 . . . . 0.0 107.255 -165.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 1.022 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 2.2 t-20 -149.09 -170.65 3.68 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -146.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 34.7 ttpt -96.63 123.46 40.31 Favored 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 110.87 -2.877 . . . . 0.0 106.451 176.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.59 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 1.3 m-30 -101.72 117.58 35.18 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.241 -168.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.583 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -108.56 124.52 50.6 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.468 -179.059 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.572 HG13 HD21 ' A' ' 13' ' ' LEU . 69.7 t -103.73 133.7 46.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.894 -175.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.729 ' HB3' ' H ' ' A' ' 14' ' ' THR . 74.3 tttt -101.84 105.37 16.2 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.769 ' HB3' HG23 ' A' ' 33' ' ' ILE . 6.7 tp10 -105.55 138.08 42.34 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -151.28 134.73 16.19 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.528 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.691 ' HA ' HD22 ' A' ' 11' ' ' LEU . 50.4 m -153.12 112.3 3.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.77 0.319 . . . . 0.0 111.414 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 66.1 -62.3 0.26 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.274 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.93 45.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.003 0.43 . . . . 0.0 111.155 -176.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -160.81 135.72 7.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.149 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -126.31 129.82 49.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.794 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.769 HG23 ' HB3' ' A' ' 26' ' ' GLU . 3.6 tt -146.59 134.95 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.043 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.554 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 13.1 p-10 -107.7 137.76 45.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.094 0.473 . . . . 0.0 110.796 178.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.57 109.49 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.4 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.4 p -106.68 132.2 54.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.003 0.43 . . . . 0.0 111.406 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.635 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 8.9 p90 -153.46 141.52 20.34 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.381 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.742 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 33.2 tt0 -100.7 143.75 30.49 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.587 -173.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.643 HD12 ' H ' ' A' ' 20' ' ' ASN . 1.1 mt -53.23 112.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.816 -175.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.3 40.74 69.75 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.08 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 38' ' ' GLU . 71.6 t -124.04 138.19 54.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.934 0.367 . . . . 0.0 110.348 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -106.85 133.93 50.76 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.635 ' HZ ' ' HB3' ' A' ' 37' ' ' PHE . 51.1 p90 -164.39 165.28 21.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -169.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -104.62 132.35 50.97 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 173.239 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -143.54 140.14 30.1 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 51' ' ' THR . 36.8 t -102.85 128.81 49.47 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 121.153 0.502 . . . . 0.0 110.132 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.407 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 54.1 mt -110.3 136.34 49.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.699 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.05 24.71 11.47 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.891 0.745 . . . . 0.0 110.755 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 51.67 38.84 23.82 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.263 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.52 -54.95 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.538 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.544 ' O ' ' HA ' ' A' ' 46' ' ' SER . 49.7 p -77.56 139.53 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -125.52 99.54 6.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.722 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 10.7 mp -103.97 124.16 48.5 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.306 -174.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 6.3 m -104.93 113.55 27.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 171.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -167.03 165.97 38.89 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 119.541 -1.314 . . . . 0.0 113.744 -175.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 13.1 t -108.95 146.52 33.7 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.537 ' CZ2' ' HB3' ' A' ' 64' ' ' LEU . 31.6 t-105 -129.04 136.03 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.919 -178.165 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.9 p -132.75 129.21 38.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 111.054 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.529 ' HG2' ' HE2' ' A' ' 22' ' ' PHE . 9.4 tpt -107.31 104.99 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 173.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -104.56 103.68 13.4 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.623 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.38 -66.65 0.75 Allowed Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.195 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -165.81 41.0 0.06 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -141.69 126.39 18.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.781 -178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.537 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 32.9 mt -103.57 104.63 14.71 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.867 -176.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.6 t -135.21 136.24 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.673 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -169.41 -157.31 11.72 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -166.2 120.85 1.16 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.722 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 9.2 m-85 -121.19 147.27 45.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.48 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 35.6 ttmt -104.4 127.27 52.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.319 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.641 ' HE ' ' HB3' ' A' ' 72' ' ' ASP . 20.7 ttt180 -125.98 101.12 6.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.362 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.467 ' C ' ' H ' ' A' ' 73' ' ' ASN . 8.7 p -70.65 -15.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.169 0.509 . . . . 0.0 110.279 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.641 ' HB3' ' HE ' ' A' ' 70' ' ' ARG . 37.2 t70 -70.51 24.23 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.068 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' A' ' 71' ' ' VAL . 45.5 t30 -173.22 -41.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.449 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . -162.31 -84.86 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 62.6 pttt -173.7 34.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.599 0.238 . . . . 0.0 111.105 172.172 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.521 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 37.5 mt-10 -162.99 147.09 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.344 0.592 . . . . 0.0 111.223 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.551 HD22 ' HD2' ' A' ' 70' ' ' ARG . 40.7 tp -167.09 104.33 0.55 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 171.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.653 ' HB ' ' HB ' ' A' ' 93' ' ' THR . 48.1 mt -115.39 148.27 18.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.667 -170.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.67 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -121.74 130.79 53.68 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 171.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.8 p -149.86 124.33 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.522 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.515 ' HG3' ' H ' ' A' ' 82' ' ' GLU . 14.0 tpt180 -169.18 166.2 10.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.495 174.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.515 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 8.3 pt-20 -126.31 146.58 49.97 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.957 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.603 ' CD1' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -102.61 128.18 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.901 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 166.474 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 46.9 m -148.06 98.09 2.88 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 118.325 -1.35 . . . . 0.0 112.159 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 51.3 39.94 44.4 Favored Glycine 0 CA--C 1.498 -1.023 0 N-CA-C 108.595 -1.802 . . . . 0.0 108.595 -175.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.516 ' HB2' ' O ' ' A' ' 84' ' ' SER . 4.2 t-20 -166.65 173.68 9.45 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-N 112.469 -1.866 . . . . 0.0 107.699 -159.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 1.035 ' HA ' ' HZ3' ' A' ' 6' ' ' TRP . 0.7 OUTLIER -103.17 167.94 9.5 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 113.319 -1.764 . . . . 0.0 107.385 -178.027 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.603 HD13 ' CD1' ' A' ' 83' ' ' ILE . 12.6 tp -96.19 129.63 43.45 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-O 121.922 0.868 . . . . 0.0 112.155 -165.444 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.613 HG13 HG23 ' A' ' 102' ' ' ILE . 4.0 mp -101.82 163.56 3.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.442 ' HB3' ' HE2' ' A' ' 103' ' ' PHE . 52.5 tt0 -138.74 118.8 13.42 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 121.368 -0.833 . . . . 0.0 111.313 -175.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 7.4 m -104.99 133.0 50.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.28 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.461 ' HD2' HD11 ' A' ' 77' ' ' LEU . 6.9 m-85 -104.05 108.32 19.62 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 167.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.653 ' HB ' ' HB ' ' A' ' 78' ' ' ILE . 34.3 m -102.44 134.86 45.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.862 -175.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.449 ' OH ' ' HA3' ' A' ' 74' ' ' GLY . 46.1 t80 -147.61 122.3 9.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.695 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 56.38 43.69 25.77 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.588 0.708 . . . . 0.0 110.465 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.54 14.34 69.44 Favored Glycine 0 CA--C 1.521 0.434 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.503 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 93' ' ' THR . 25.4 t -104.19 135.6 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 117.034 0.417 . . . . 0.0 109.931 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.615 ' HG3' HG23 ' A' ' 91' ' ' THR . 7.2 tt0 -104.93 133.87 49.01 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.239 0.543 . . . . 0.0 111.478 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.66 113.78 9.39 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -129.26 148.73 51.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -168.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 89' ' ' ILE . 38.7 tpt85 -122.67 143.06 50.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.56 -1.2 . . . . 0.0 107.952 172.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.613 HG23 HG13 ' A' ' 89' ' ' ILE . 73.7 mt -100.31 126.79 53.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.379 0.609 . . . . 0.0 111.029 -173.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' A' ' 88' ' ' LEU . 55.0 m-85 -123.01 168.48 12.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.824 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.765 ' HA ' ' HB3' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -142.29 165.41 27.51 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.82 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 6' ' ' TRP . 8.8 tmtm? -54.69 132.86 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.631 ' H ' ' HA ' ' A' ' 6' ' ' TRP . 19.8 tt0 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.434 -0.793 . . . . 0.0 110.426 -174.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.855 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -101.2 127.73 47.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.659 0.266 . . . . 0.0 110.812 -178.765 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.536 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 6.4 m0 -132.0 102.18 5.72 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.001 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 29.4 tptt -168.15 171.0 9.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.081 0.467 . . . . 0.0 111.925 -176.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.612 HG23 ' HD1' ' A' ' 103' ' ' PHE . 38.5 t -99.33 146.47 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.288 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.21 140.03 5.02 Favored Glycine 0 C--N 1.335 0.509 0 O-C-N 123.728 0.642 . . . . 0.0 113.925 -174.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.78 -38.77 3.01 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -174.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.877 HD22 ' HA ' ' A' ' 28' ' ' SER . 23.4 mt -104.9 165.59 10.97 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -146.26 143.12 28.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.893 0.377 . . . . 0.0 110.149 174.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.001 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 3.6 tt -139.79 135.17 32.76 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.542 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.8 m -135.03 122.28 21.58 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -110.77 115.05 48.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 m -123.01 144.37 49.31 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.395 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.61 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.7 pm0 -130.34 132.83 46.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.295 0.569 . . . . 0.0 111.274 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' HG3' ' HB2' ' A' ' 21' ' ' LYS . 10.4 pt-20 -104.27 87.07 2.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.85 174.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.56 -103.65 1.56 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -167.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.548 ' HB3' HD13 ' A' ' 39' ' ' LEU . 4.3 m120 -125.82 94.35 4.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 166.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 8.6 mtpm? -169.51 106.17 0.38 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -103.67 128.96 50.92 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.447 -171.217 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 9.5 t -115.45 129.66 56.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.352 175.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.815 HG13 HD21 ' A' ' 13' ' ' LEU . 54.6 t -104.2 124.85 58.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.667 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 40.0 tttm -100.47 110.4 22.58 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 4.5 mm-40 -103.69 136.71 42.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.405 0.622 . . . . 0.0 111.063 -176.311 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 7.5 m -144.81 110.81 5.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.713 177.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.877 ' HA ' HD22 ' A' ' 11' ' ' LEU . 58.5 m -158.72 152.38 23.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 -174.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 68.1 -78.38 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.795 0.684 . . . . 0.0 110.785 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -167.37 47.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.586 ' O ' ' HA ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -144.71 148.83 34.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.064 -167.718 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 12.5 p30 -145.38 115.71 7.55 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.551 174.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -152.67 136.48 8.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.237 -172.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.0 137.61 41.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.253 -176.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.513 HG22 HD22 ' A' ' 47' ' ' LEU . 14.7 t -114.02 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 11.4 p -107.5 137.95 36.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.954 0.407 . . . . 0.0 110.969 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 17.3 p90 -150.27 143.55 25.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.918 -177.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' HB3' HG21 ' A' ' 41' ' ' VAL . 85.5 tt0 -103.65 141.99 35.09 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 20' ' ' ASN . 6.4 mp -59.21 121.71 12.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.283 -173.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 58' ' ' THR . . . 74.62 30.15 60.45 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.898 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 38' ' ' GLU . 81.7 t -119.06 137.94 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.847 0.356 . . . . 0.0 110.381 178.105 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.471 ' HB3' ' HB ' ' A' ' 56' ' ' THR . 9.1 p-10 -104.35 141.08 36.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.394 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 42.2 p90 -163.81 150.39 11.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.108 0.48 . . . . 0.0 111.667 -173.44 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.562 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -104.65 136.22 44.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.581 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -159.54 149.69 18.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.796 0.331 . . . . 0.0 110.749 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 t -102.26 126.23 49.19 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.629 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.578 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 85.2 mt -108.34 129.6 55.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.626 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 51.96 32.14 9.63 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.936 0.773 . . . . 0.0 112.287 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.42 47.13 24.46 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.195 178.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.4 -51.47 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.743 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.61 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 82.1 p -94.61 124.34 38.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 117.169 0.485 . . . . 0.0 110.414 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.649 ' H ' ' HD3' ' A' ' 70' ' ' ARG . 16.6 mt-10 -111.13 91.51 3.69 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.61 ' CD1' ' HB ' ' A' ' 51' ' ' THR . 10.9 mp -103.38 127.05 50.84 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.048 -172.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.562 HG23 ' HB2' ' A' ' 44' ' ' ALA . 7.3 m -107.94 112.3 24.82 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.77 166.37 39.02 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 118.985 -1.579 . . . . 0.0 114.163 -173.359 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.471 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 15.2 t -110.53 143.78 40.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.189 -0.506 . . . . 0.0 110.113 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 24.0 t-105 -119.82 135.61 54.79 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.412 HG22 ' HA2' ' A' ' 40' ' ' GLY . 45.5 p -134.79 137.21 43.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.918 0.389 . . . . 0.0 110.89 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.0 ttm -104.24 116.49 32.27 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 172.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -103.51 102.83 12.74 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.75 -112.24 4.62 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.267 -173.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -114.43 52.96 0.81 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.523 0.678 . . . . 0.0 109.294 172.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.64 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 10.6 mptt -138.26 138.02 38.04 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.067 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.7 mt -110.83 104.86 13.52 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.769 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.51 140.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.022 -174.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -166.65 -159.63 12.63 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.773 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -165.07 114.75 1.09 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.67 ' H ' HG12 ' A' ' 78' ' ' ILE . 12.5 m-85 -125.11 146.08 49.64 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.144 0.497 . . . . 0.0 110.779 -177.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 34.4 ttmt -110.47 125.45 53.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.626 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.657 ' CZ ' ' HB2' ' A' ' 72' ' ' ASP . 14.5 tpt180 -124.91 105.27 9.1 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.43 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 8.7 p -64.06 -34.34 68.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -173.613 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.657 ' HB2' ' CZ ' ' A' ' 70' ' ' ARG . 41.7 t0 -56.79 -42.68 79.89 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.739 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -83.83 -54.15 5.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.712 0.292 . . . . 0.0 111.737 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -178.76 39.23 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.574 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 55.0 pttt 47.15 35.63 3.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.5 1.12 . . . . 0.0 112.529 -176.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -159.7 134.75 8.06 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.486 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 4.8 tt -168.42 104.82 0.45 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.67 HG12 ' H ' ' A' ' 68' ' ' PHE . 20.4 mt -119.09 165.63 14.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.371 -173.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -137.04 114.83 11.29 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -133.69 128.59 54.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.213 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.7 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 20.9 tpt180 -165.08 148.82 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.052 0.453 . . . . 0.0 111.897 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.64 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 1.0 OUTLIER -104.47 165.96 10.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.796 174.748 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.6 mm -101.74 120.9 52.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.2 t -110.81 128.56 55.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.55 -123.4 32.63 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -172.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -130.71 95.08 3.76 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 118.984 -1.086 . . . . 0.0 109.247 162.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -171.26 153.25 3.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.283 -1.326 . . . . 0.0 107.77 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.1 tp -117.72 126.36 52.32 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.394 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.7 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.3 mp -104.3 147.73 9.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 170.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 50.6 tt0 -124.16 115.09 20.54 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.783 -174.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.918 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -110.22 132.81 53.84 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.623 -178.312 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.587 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 3.3 m-85 -101.33 118.28 36.65 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 169.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.72 ' CG2' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -100.8 129.5 46.69 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.985 -168.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -165.76 149.54 8.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.276 -172.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.432 ' HA ' ' OE1' ' A' ' 95' ' ' GLU . 4.8 tp10 48.9 48.18 20.73 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.519 ' O ' HG13 ' A' ' 97' ' ' VAL . . . 119.44 -108.61 1.54 Allowed Glycine 0 N--CA 1.43 -1.707 0 CA-C-N 113.834 -1.53 . . . . 0.0 110.646 -166.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.72 HG12 ' CG2' ' A' ' 93' ' ' THR . 2.1 m -171.16 89.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 117.449 -1.262 . . . . 0.0 111.706 176.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 97' ' ' VAL . 6.0 pt-20 -179.47 130.66 0.1 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 162.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.759 ' H ' HG22 ' A' ' 91' ' ' THR . . . -169.81 102.76 0.31 Allowed 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 114.068 -1.424 . . . . 0.0 107.327 164.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.918 ' HB3' HG23 ' A' ' 91' ' ' THR . 12.4 pttt -126.46 139.1 53.5 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -164.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -124.89 144.16 50.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 113.565 -1.652 . . . . 0.0 107.694 171.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.48 HG23 HG13 ' A' ' 89' ' ' ILE . 55.4 mt -101.94 126.25 55.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.285 0.564 . . . . 0.0 111.388 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.612 ' HD1' HG23 ' A' ' 8' ' ' VAL . 53.7 m-85 -120.97 166.52 13.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.465 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -143.62 154.77 43.89 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.423 -175.493 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.546 ' HD3' ' N ' ' A' ' 106' ' ' GLU . 3.4 tmtp? -61.56 126.28 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.018 0.437 . . . . 0.0 110.433 -177.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.546 ' N ' ' HD3' ' A' ' 105' ' ' LYS . 17.2 tp10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.332 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.965 ' HA3' ' HB ' ' A' ' 16' ' ' THR . . . . . . . . 0 C--O 1.182 -3.107 0 CA-C-O 118.627 -1.096 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p -103.45 122.11 44.21 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 117.771 -3.194 . . . . 0.0 114.916 -169.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.637 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -132.42 113.51 13.23 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 164.847 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.012 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 11.2 tptm -168.74 169.84 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 119.398 0.999 . . . . 0.0 112.697 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.418 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 21.7 t -100.26 144.29 12.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.067 178.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.96 126.81 10.48 Favored Glycine 0 C--N 1.332 0.309 0 O-C-N 123.539 0.525 . . . . 0.0 113.465 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.67 -32.29 6.31 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 -175.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.85 HD22 ' HA ' ' A' ' 28' ' ' SER . 17.4 mt -118.44 165.77 13.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' H ' ' HB2' ' A' ' 27' ' ' SER . 14.8 ptpt -133.47 146.91 51.57 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.223 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 1.012 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 2.1 tt -148.96 121.03 8.26 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.951 ' HA ' ' O ' ' A' ' 4' ' ' GLY . 28.8 m -104.91 121.05 42.9 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.453 -175.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.634 HG22 ' HE1' ' A' ' 6' ' ' TRP . 29.9 mt -158.58 104.9 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.475 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.965 ' HB ' ' HA3' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -175.34 109.79 0.11 Allowed 'General case' 0 N--CA 1.434 -1.267 0 O-C-N 121.174 -0.954 . . . . 0.0 110.329 169.741 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.904 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 5.7 tp-100 -103.53 158.35 16.42 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 120.685 -1.26 . . . . 0.0 113.969 -172.061 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.617 ' HG3' ' OE1' ' A' ' 17' ' ' GLN . 1.5 pp20? -54.84 -39.3 68.45 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.255 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.593 ' H ' ' HG3' ' A' ' 17' ' ' GLN . . . -171.76 -53.7 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 177.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.533 ' HB3' HD13 ' A' ' 39' ' ' LEU . 6.2 m120 -148.77 94.02 2.21 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 172.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.904 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 34.7 mttm -169.47 129.73 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 174.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.639 ' HD1' ' O ' ' A' ' 21' ' ' LYS . 13.0 m-30 -121.82 103.66 9.02 Favored 'General case' 0 C--N 1.286 -2.177 0 O-C-N 119.696 -1.877 . . . . 0.0 112.192 -165.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 2.3 m -110.05 113.45 26.17 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.903 -1.044 . . . . 0.0 108.939 167.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.571 ' HA ' ' O ' ' A' ' 14' ' ' THR . 93.4 t -103.79 122.03 56.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.844 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 38.7 tttp -101.93 111.19 23.37 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.522 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.34 143.66 32.68 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.265 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB2' ' H ' ' A' ' 12' ' ' LYS . 22.9 m -155.7 136.34 13.38 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.978 -175.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.85 ' HA ' HD22 ' A' ' 11' ' ' LEU . 49.3 m -158.06 134.8 9.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.52 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 64.71 -71.07 0.08 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.584 0.754 . . . . 0.0 112.412 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -160.68 47.66 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.603 0.716 . . . . 0.0 110.193 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 28' ' ' SER . 7.7 ptm180 -146.0 146.83 31.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.337 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -152.01 125.41 8.8 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 tp -150.83 132.37 5.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.022 -172.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 1.4 m-20 -104.12 124.78 49.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 23' ' ' THR . 5.0 t -104.66 117.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 175.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.32 128.51 60.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.107 0.479 . . . . 0.0 111.143 -177.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.414 ' HE2' ' CD1' ' A' ' 57' ' ' TRP . 11.4 p90 -159.19 151.86 21.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.797 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -107.87 159.61 16.39 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.603 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.0 mp -66.11 128.21 35.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -175.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.17 36.2 28.23 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.839 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 56' ' ' THR . 64.4 t -124.18 132.96 70.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.487 0.184 . . . . 0.0 110.636 178.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -103.46 137.38 41.63 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 174.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -155.39 145.05 21.27 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.958 0.409 . . . . 0.0 111.286 -173.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.628 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -111.88 130.32 55.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -163.12 154.7 17.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.276 -174.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.438 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 29.6 t -101.86 125.72 48.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.21 175.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.5 mt -111.08 129.81 55.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.371 -175.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.5 36.63 26.16 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 124.029 0.831 . . . . 0.0 112.08 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 54.24 48.64 20.39 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.507 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.73 -84.66 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.046 -1.073 . . . . 0.0 112.723 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.536 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 68.0 p -64.26 127.52 31.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.597 0.237 . . . . 0.0 110.838 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 46' ' ' SER . 54.8 mt-10 -115.58 95.28 5.07 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.025 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.6 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 11.2 mp -104.33 123.53 47.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.453 -172.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.628 HG23 ' HB2' ' A' ' 44' ' ' ALA . 7.8 m -104.08 106.53 17.07 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 174.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.416 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -159.79 165.3 34.56 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 118.456 -1.83 . . . . 0.0 114.933 -172.16 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 10.9 t -118.98 144.28 46.58 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.508 -0.846 . . . . 0.0 109.64 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.672 ' CZ2' ' HB3' ' A' ' 64' ' ' LEU . 65.9 t-105 -124.26 138.64 54.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.327 -174.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.3 p -142.43 132.01 23.88 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.706 0.289 . . . . 0.0 110.575 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.415 ' HB2' ' HE2' ' A' ' 22' ' ' PHE . 26.0 ttt -105.01 115.44 30.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -104.15 104.56 14.5 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.94 -120.45 16.36 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.309 -0.948 . . . . 0.0 110.733 -170.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -110.76 36.38 3.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.133 0.492 . . . . 0.0 109.993 173.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.591 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -120.55 135.9 54.95 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.849 177.328 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.672 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 40.0 mt -114.53 111.86 22.04 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.303 -176.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.579 HG22 HG13 ' A' ' 80' ' ' VAL . 87.2 t -141.28 134.52 30.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.847 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.34 -148.37 5.37 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.569 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.483 ' HA ' HG12 ' A' ' 78' ' ' ILE . 80.9 tttt -165.51 131.26 2.59 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 57.2 m-85 -131.52 141.89 49.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.883 0.373 . . . . 0.0 110.055 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.739 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 51.2 tttm -104.16 112.17 25.07 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.066 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.47 ' HD3' ' H ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -94.71 68.74 3.38 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.02 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.7 p -63.66 -24.47 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.744 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -49.17 -35.39 16.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.16 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.47 ' H ' ' HD3' ' A' ' 70' ' ' ARG . 42.6 t30 -130.79 -41.11 1.18 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.579 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -131.39 -110.64 1.32 Allowed Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.476 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.919 ' HG2' ' HG3' ' A' ' 76' ' ' GLU . 15.7 ttpp -151.44 -38.31 0.12 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -171.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.919 ' HG3' ' HG2' ' A' ' 75' ' ' LYS . 46.3 mt-10 -150.15 123.39 8.93 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.978 -172.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.551 HD23 HD21 ' A' ' 53' ' ' LEU . 53.6 tp -130.66 113.08 13.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.955 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . 0.505 HG22 HG23 ' A' ' 80' ' ' VAL . 66.1 mt -119.23 132.2 69.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.08 -171.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.597 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -105.21 128.61 53.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.579 HG13 HG22 ' A' ' 65' ' ' VAL . 81.5 t -140.9 122.13 13.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 10.9 tpt180 -167.17 154.8 9.13 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 120.974 0.416 . . . . 0.0 111.912 175.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.591 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 14.3 pt-20 -104.57 158.2 16.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.879 175.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.401 HD11 ' CD1' ' A' ' 64' ' ' LEU . 8.0 mm -102.56 118.31 49.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 20.8 m -103.76 122.54 45.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.41 -120.1 19.47 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -172.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -129.96 96.51 4.22 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.371 163.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 84' ' ' SER . 25.7 pt-20 -168.4 151.42 5.48 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 174.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.9 tp -128.58 127.27 41.98 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.585 -0.846 . . . . 0.0 112.546 -176.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ILE . . . . . 0.627 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 56.6 mt -104.56 146.83 11.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 166.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.0 tp-100 -130.75 124.74 32.13 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.679 -175.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.62 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -112.6 124.67 53.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.792 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -103.93 109.33 21.05 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 29.8 m -102.33 106.92 17.78 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TYR . . . . . 0.526 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 8.9 t80 -112.26 118.07 34.28 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.253 -176.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 65.14 -60.54 0.24 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.193 0.933 . . . . 0.0 112.065 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.03 33.14 0.16 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.422 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 93' ' ' THR . 7.5 m -141.6 134.16 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 175.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -109.07 130.5 55.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.076 0.465 . . . . 0.0 111.22 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.53 121.21 35.99 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.473 176.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.62 ' HB3' HG23 ' A' ' 91' ' ' THR . 11.0 pttm -113.71 146.38 39.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.264 0.554 . . . . 0.0 111.971 -176.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -140.9 139.25 34.33 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.4 mp -102.88 134.63 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.02 0.438 . . . . 0.0 111.527 -170.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -137.13 161.68 35.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.509 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 156.62 43.28 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LYS . . . . . 0.591 ' HA ' ' HB3' ' A' ' 6' ' ' TRP . 62.7 tttm -70.12 141.93 52.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.707 0.289 . . . . 0.0 110.613 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.274 -0.87 . . . . 0.0 109.933 177.189 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -22.67 58.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -171.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.816 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 12.5 p-10 -60.34 81.22 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 122.014 0.911 . . . . 0.0 111.216 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.49 170.18 41.52 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.267 -171.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.439 HG22 ' OG1' ' A' ' 14' ' ' THR . 25.3 p -99.83 126.08 45.88 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.316 0.558 . . . . 0.0 110.304 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.546 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 3.4 m95 -127.49 100.35 5.98 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.845 ' HE3' ' HB2' ' A' ' 13' ' ' LEU . 1.7 tppp? -168.04 168.74 11.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.454 0.645 . . . . 0.0 111.521 -176.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' H ' ' CD ' ' A' ' 7' ' ' LYS . 96.0 t -100.17 143.03 14.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.18 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.32 134.71 23.94 Favored Glycine 0 C--N 1.333 0.376 0 O-C-N 123.323 0.389 . . . . 0.0 113.415 -174.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.54 -35.56 4.96 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.882 HD22 ' HA ' ' A' ' 28' ' ' SER . 22.8 mt -110.24 168.91 9.09 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 175.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HG2' ' HB2' ' A' ' 27' ' ' SER . 54.8 pttt -142.67 147.95 36.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.845 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 3.3 tt -152.83 137.56 16.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.515 ' N ' HD23 ' A' ' 13' ' ' LEU . 16.0 m -148.6 126.74 12.1 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.038 0.447 . . . . 0.0 110.293 -172.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.816 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 5.0 mp -108.52 148.17 12.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.7 m -155.72 146.89 22.52 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 5.0 pm0 -142.53 125.69 16.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.406 0.622 . . . . 0.0 111.906 -176.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HG3' ' HB2' ' A' ' 21' ' ' LYS . 4.9 pt-20 -94.08 87.74 5.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.342 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.95 -107.44 2.29 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -169.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 3.3 m120 -119.91 95.67 4.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 168.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.834 ' HD2' ' HG2' ' A' ' 38' ' ' GLU . 24.6 mmmt -167.7 103.84 0.5 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -104.12 122.17 44.75 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.684 -0.807 . . . . 0.0 111.431 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 15.2 t -113.86 138.99 49.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.304 176.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.565 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 82.3 t -117.53 127.76 74.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.147 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.741 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 83.1 tttt -101.93 107.23 18.32 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 4.8 tp10 -110.83 118.57 36.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.832 0.349 . . . . 0.0 111.753 -174.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.513 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 4.3 m -124.08 115.58 21.4 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 169.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.882 ' HA ' HD22 ' A' ' 11' ' ' LEU . 70.9 m -153.09 142.4 21.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.979 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.8 t30 67.23 -72.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.944 0.778 . . . . 0.0 111.718 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -171.75 47.66 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.006 0.431 . . . . 0.0 110.703 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -166.08 132.82 2.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.876 174.608 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.483 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 11.3 t30 -109.21 125.54 52.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.625 176.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.589 HG12 HD22 ' A' ' 47' ' ' LEU . 7.4 tp -146.26 135.92 17.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.722 -175.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.565 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 2.8 m-20 -104.66 141.1 37.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.098 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.7 t -127.98 117.98 47.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.525 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 13.9 p -104.79 139.75 24.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.777 0.322 . . . . 0.0 110.401 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 28.5 p90 -151.36 145.95 25.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.267 0.556 . . . . 0.0 111.054 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.834 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 26.1 mt-10 -103.76 144.15 31.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.409 ' HG ' ' HB3' ' A' ' 59' ' ' MET . 7.0 mp -63.02 112.27 2.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.116 0.484 . . . . 0.0 111.488 -173.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.525 ' HA2' HG22 ' A' ' 58' ' ' THR . . . 76.57 37.59 34.8 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.758 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.0 t -126.32 145.62 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.709 0.29 . . . . 0.0 110.533 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.6 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.8 p30 -101.78 138.64 38.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.167 -178.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 38.0 p90 -157.97 149.94 21.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.135 -173.111 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.527 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -113.97 142.0 46.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.799 178.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CE1' ' HG ' ' A' ' 47' ' ' LEU . 45.7 p90 -157.86 149.77 21.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.866 0.365 . . . . 0.0 110.819 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 51' ' ' THR . 29.1 t -105.3 126.2 51.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.576 173.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.589 HD22 HG12 ' A' ' 33' ' ' ILE . 36.8 mt -104.8 124.11 48.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.458 177.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.65 34.52 23.43 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.877 0.736 . . . . 0.0 111.565 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.3 t70 50.38 49.97 19.65 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.335 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.67 -56.0 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.938 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 58.3 p -90.38 114.35 26.44 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 122.219 -0.577 . . . . 0.0 109.742 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -110.42 95.44 5.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.737 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 9.0 mp -103.84 123.96 48.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.367 -173.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.527 HG23 ' HB2' ' A' ' 44' ' ' ALA . 15.9 m -106.0 117.13 33.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 67' ' ' LYS . . . -167.33 165.66 38.76 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 119.179 -1.486 . . . . 0.0 114.065 -177.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 9.9 t -104.31 138.53 40.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.261 176.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.588 ' HE1' HD22 ' A' ' 64' ' ' LEU . 23.5 t-105 -117.82 126.08 51.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.623 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.525 HG22 ' HA2' ' A' ' 40' ' ' GLY . 68.5 p -114.58 135.12 54.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.409 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 24.3 ttt -117.08 124.43 49.22 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.583 0.706 . . . . 0.0 110.951 176.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -101.19 153.82 19.28 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 165.528 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -36.67 -36.79 0.18 Allowed Glycine 0 N--CA 1.463 0.454 0 O-C-N 123.89 0.744 . . . . 0.0 114.289 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -138.4 36.53 2.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.944 0.402 . . . . 0.0 110.613 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.864 ' HD2' ' HB3' ' A' ' 82' ' ' GLU . 30.5 mmmt -143.81 123.54 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.588 HD22 ' HE1' ' A' ' 57' ' ' TRP . 86.0 mt -113.16 113.01 24.76 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.431 HG22 HG13 ' A' ' 80' ' ' VAL . 59.2 t -139.56 138.03 39.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.249 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.62 -158.02 8.91 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.159 -1.02 . . . . 0.0 112.188 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.47 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 45.0 tttp -165.63 123.49 1.54 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.737 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 42.8 m-85 -132.03 144.42 50.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.213 0.53 . . . . 0.0 111.035 -175.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.665 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 77.8 tttt -110.76 123.64 50.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.309 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 51' ' ' THR . 6.8 ttt180 -118.48 100.41 7.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.5 m -62.03 -33.01 56.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -79.38 40.8 0.44 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -171.38 -62.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.467 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.452 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . -167.08 34.05 0.21 Allowed Glycine 0 CA--C 1.509 -0.333 0 C-N-CA 120.14 -1.028 . . . . 0.0 112.364 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.665 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 23.4 pttp 43.02 21.39 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 174.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.477 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 23.3 mt-10 -164.81 104.3 0.8 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.704 0.684 . . . . 0.0 111.919 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 92' ' ' TYR . 64.0 tp -134.64 119.58 18.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.836 169.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.507 HG22 HG23 ' A' ' 80' ' ' VAL . 71.9 mt -123.52 139.02 51.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.491 -171.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.593 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -110.3 125.9 53.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.507 HG23 HG22 ' A' ' 78' ' ' ILE . 95.2 t -140.53 131.75 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.922 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 16.5 tpt180 -166.08 144.78 5.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.864 ' HB3' ' HD2' ' A' ' 63' ' ' LYS . 3.9 pt-20 -104.63 162.46 13.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.682 172.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.6 mm -102.28 121.83 53.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.648 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -114.03 120.44 40.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.396 0.141 . . . . 0.0 110.813 -179.427 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.43 -130.47 51.04 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -112.6 95.04 5.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.196 167.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.648 ' HG2' ' O ' ' A' ' 84' ' ' SER . 22.4 pt-20 -170.29 165.64 8.87 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.446 175.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.5 tp -139.39 127.53 22.49 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.653 170.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.72 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 30.9 mm -105.22 162.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 172.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.463 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.4 tp-100 -142.81 115.27 8.51 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.199 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.842 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -108.58 124.8 51.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -177.028 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.537 ' HB3' HD11 ' A' ' 77' ' ' LEU . 22.8 m-85 -104.36 110.39 22.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 171.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.4 m -103.04 115.4 30.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.088 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.477 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 41.4 t80 -120.46 124.65 45.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.995 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 66.77 -69.4 0.13 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.013 0.82 . . . . 0.0 111.063 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.93 32.76 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.84 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 15.7 t -129.81 131.01 66.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -104.75 123.52 47.79 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.672 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.51 132.5 54.35 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.842 ' HB3' HG23 ' A' ' 91' ' ' THR . 22.5 pttp -140.77 137.33 33.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.263 0.554 . . . . 0.0 111.864 -173.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -104.85 146.86 28.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.129 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 89' ' ' ILE . 3.0 mp -103.17 129.65 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.912 -173.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -135.38 165.84 24.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -141.21 159.45 42.19 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.081 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -56.9 134.66 55.64 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.383 179.512 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.44 -105.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.903 -0.135 . . . . 0.0 111.068 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.0 t70 60.47 59.67 2.18 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.724 0.774 . . . . 0.0 109.14 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.0 167.27 39.14 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.225 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.528 HG22 ' OG1' ' A' ' 14' ' ' THR . 57.0 p -101.68 128.51 47.95 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.46 ' HA ' ' H ' ' A' ' 106' ' ' GLU . 7.9 m0 -131.38 100.75 5.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.934 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 13.0 tptm -168.49 166.99 11.97 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.626 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -111.63 120.1 61.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.91 -124.35 36.39 Favored Glycine 0 CA--C 1.518 0.227 0 CA-C-N 115.794 -0.639 . . . . 0.0 114.626 168.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.07 -19.74 66.23 Favored Glycine 0 N--CA 1.454 -0.16 0 CA-C-N 115.1 -0.55 . . . . 0.0 114.037 -172.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.839 HD13 ' HE2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -102.6 149.1 24.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 117.064 0.432 . . . . 0.0 110.039 177.754 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -130.66 154.95 47.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.885 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.934 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 1.5 tt -156.16 134.86 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -175.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.575 ' H ' ' HB3' ' A' ' 25' ' ' LYS . 11.3 m -142.72 128.07 18.84 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 23' ' ' THR . 47.0 mt -116.13 104.83 17.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -106.1 148.11 28.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.507 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -148.82 133.81 18.13 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.136 0.493 . . . . 0.0 111.487 179.149 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -108.09 93.04 4.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.219 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.63 -101.0 1.13 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.118 -171.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -123.77 94.51 4.26 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.568 0.699 . . . . 0.0 109.251 170.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 24.8 ttmm -171.7 103.2 0.19 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 174.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.429 ' CE1' HD21 ' A' ' 39' ' ' LEU . 6.3 m-85 -104.34 134.42 47.59 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.255 0.55 . . . . 0.0 111.381 -173.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.638 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.2 t -128.43 130.18 47.24 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.576 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.924 ' HB ' HG12 ' A' ' 35' ' ' VAL . 72.2 t -106.95 132.65 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 56.3 tttp -101.46 111.03 23.14 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.81 143.51 32.72 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.1 -177.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.2 m -155.16 132.17 10.83 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.65 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.6 m -160.26 121.94 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.576 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 65.02 -68.79 0.1 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -162.75 56.68 0.21 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.169 0.509 . . . . 0.0 111.565 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.17 144.27 8.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 172.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -132.39 126.54 33.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.138 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.0 tt -153.49 141.54 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.895 0.379 . . . . 0.0 111.795 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.68 141.65 36.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.177 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.924 HG12 ' HB ' ' A' ' 24' ' ' VAL . 8.4 p -108.75 130.3 61.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 p -120.58 134.43 64.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.653 -177.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.67 ' HE2' HG13 ' A' ' 35' ' ' VAL . 17.4 p90 -161.0 142.48 11.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.405 0.622 . . . . 0.0 111.495 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.567 ' HB2' HG21 ' A' ' 41' ' ' VAL . 53.8 mt-10 -104.11 148.15 26.6 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.468 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.634 ' H ' HD22 ' A' ' 39' ' ' LEU . 2.2 mm? -61.61 119.94 9.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -174.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.58 38.15 28.93 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.684 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG21 ' HB2' ' A' ' 38' ' ' GLU . 97.2 t -124.98 133.76 68.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.861 0.362 . . . . 0.0 110.528 178.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -103.8 130.5 51.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 43.2 p90 -157.16 159.53 37.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.818 0.342 . . . . 0.0 111.38 -172.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -103.86 136.11 44.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.455 175.049 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -146.33 131.88 18.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.081 0.467 . . . . 0.0 110.825 -174.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.7 t -102.83 123.27 46.17 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.672 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 5.5 mp -108.71 124.09 50.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.379 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.29 33.61 18.68 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.919 0.762 . . . . 0.0 111.569 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 52.34 39.73 27.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.085 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.99 -69.79 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.589 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.672 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 30.7 p -73.27 126.37 29.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.013 0.406 . . . . 0.0 110.121 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -119.08 90.87 3.42 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.462 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 10.8 mp -103.59 124.21 48.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.109 -174.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 4.2 m -112.85 110.57 20.76 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.595 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.34 166.36 38.8 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 118.894 -1.622 . . . . 0.0 114.166 -172.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 9.3 t -105.06 144.23 32.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.193 -0.503 . . . . 0.0 110.336 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.444 ' HE3' ' CE1' ' A' ' 68' ' ' PHE . 42.5 t-105 -125.57 138.12 53.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.372 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.5 p -136.46 131.85 34.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.715 0.293 . . . . 0.0 110.898 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.497 ' H ' HD12 ' A' ' 39' ' ' LEU . 26.8 ttt -115.69 107.0 14.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 173.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -103.66 104.48 14.53 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.65 -121.96 11.55 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.105 -171.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.559 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . 55.0 m-80 -108.44 43.89 1.18 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.202 0.525 . . . . 0.0 109.815 174.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 59' ' ' MET . 4.7 mptp? -126.02 124.36 40.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.589 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 50.0 mt -110.64 105.75 14.76 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.051 -177.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.568 HG22 HG13 ' A' ' 80' ' ' VAL . 26.1 t -141.31 140.88 31.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.374 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.51 -150.13 6.95 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -163.96 124.64 2.19 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.595 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 10.1 m-85 -123.5 141.96 51.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.071 0.462 . . . . 0.0 110.273 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.66 ' HG2' HG13 ' A' ' 71' ' ' VAL . 33.5 ttmt -103.13 107.08 17.75 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.154 -175.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' NE ' ' HA ' ' A' ' 51' ' ' THR . 13.7 tpt180 -86.09 75.41 9.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.505 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.66 HG13 ' HG2' ' A' ' 69' ' ' LYS . 9.0 m -61.22 -35.33 65.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.419 -175.343 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.61 -43.59 80.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.743 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.433 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 41.8 t30 -95.67 -44.46 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.574 -175.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.1 -77.3 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.197 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 12.5 pttp -168.29 -26.68 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.501 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 35.1 mt-10 -149.59 117.87 6.43 Favored 'General case' 0 CA--C 1.508 -0.659 0 O-C-N 121.58 -0.7 . . . . 0.0 111.605 -175.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 62.1 tp -128.67 104.62 7.75 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.425 HG22 HG23 ' A' ' 80' ' ' VAL . 14.6 mt -114.29 149.14 16.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.842 -169.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.568 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -124.85 119.48 28.97 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 173.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.568 HG13 HG22 ' A' ' 65' ' ' VAL . 93.4 t -136.06 124.29 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.407 -175.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 12.8 tpt180 -166.01 154.43 10.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.026 0.441 . . . . 0.0 111.67 177.557 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -109.74 163.09 13.83 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.394 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.559 ' HB ' ' HB3' ' A' ' 62' ' ' ASN . 14.9 mm -101.11 124.98 55.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -114.64 128.08 56.12 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.66 -114.22 5.4 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -175.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.9 p30 -138.36 93.39 2.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.384 1.088 . . . . 0.0 109.928 162.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -170.53 141.48 1.93 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 113.846 -1.524 . . . . 0.0 107.975 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.2 tp -112.71 125.09 53.93 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.213 0.53 . . . . 0.0 111.096 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.618 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.2 mp -104.28 147.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 170.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 3.6 tp-100 -130.79 118.4 20.77 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.663 -176.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.661 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -105.11 126.23 51.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.642 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.59 110.97 23.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.553 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.582 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 6.8 m -105.28 104.43 14.16 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.323 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.501 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 19.3 t80 -104.65 115.84 31.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.745 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 65.6 -62.77 0.22 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.009 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.73 35.34 0.25 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.565 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 93' ' ' THR . 18.8 m -141.96 140.01 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -122.61 142.11 51.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.395 0.617 . . . . 0.0 111.56 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.76 129.05 19.92 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.661 ' HB3' HG23 ' A' ' 91' ' ' THR . 58.7 pttt -122.09 140.43 52.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.217 0.532 . . . . 0.0 111.974 -172.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -116.8 140.37 49.51 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.507 HG23 HG13 ' A' ' 89' ' ' ILE . 66.1 mt -102.3 126.19 56.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.077 0.465 . . . . 0.0 111.45 -172.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.5 166.32 17.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.448 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.27 165.32 23.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.413 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.26 127.91 33.53 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.46 ' H ' ' HA ' ' A' ' 6' ' ' TRP . 6.0 tp10 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.769 -0.634 . . . . 0.0 110.101 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.565 0.221 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.419 ' HB2' ' OE1' ' A' ' 17' ' ' GLN . 65.7 m-85 -88.74 -114.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.813 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.1 t70 56.28 55.7 6.44 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.66 0.743 . . . . 0.0 109.703 -174.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.81 167.44 39.13 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.381 -173.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.539 HG22 ' OG1' ' A' ' 14' ' ' THR . 61.2 p -100.95 124.6 46.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.01 0.434 . . . . 0.0 110.055 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.488 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 5.9 m0 -127.18 103.91 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -176.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.848 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 14.3 tptm -166.95 169.65 12.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.286 0.565 . . . . 0.0 112.433 -175.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.42 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 65.8 t -100.24 145.67 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.242 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.86 135.24 15.74 Favored Glycine 0 C--N 1.334 0.437 0 O-C-N 123.582 0.551 . . . . 0.0 113.709 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.37 -36.92 3.88 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -175.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 1.032 HD22 ' HA ' ' A' ' 28' ' ' SER . 12.5 mt -105.6 164.3 12.01 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -140.08 148.88 42.39 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.848 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 3.4 tt -153.97 132.4 12.04 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.539 ' OG1' HG22 ' A' ' 5' ' ' THR . 5.7 m -140.19 126.96 20.53 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -175.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 23' ' ' THR . 59.4 mt -117.81 121.11 66.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -122.7 144.18 49.31 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.12 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.732 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -144.03 137.62 27.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.932 0.396 . . . . 0.0 111.722 179.388 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -85.44 -134.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.29 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.04 94.84 Favored Glycine 0 C--N 1.335 0.498 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 171.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -163.17 96.67 0.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.128 -1.036 . . . . 0.0 108.378 167.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.732 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 25.8 mttp -169.89 105.55 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.482 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -104.22 135.37 45.81 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.465 -175.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 15.0 t -135.2 137.65 42.85 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.506 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 97.8 t -119.48 127.4 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.183 -176.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.693 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 87.5 tttt -102.24 111.44 23.72 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.0 141.43 36.2 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.418 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 38.9 m -158.3 114.2 2.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 176.245 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 1.032 ' HA ' HD22 ' A' ' 11' ' ' LEU . 39.8 m -151.48 115.07 4.86 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.43 -176.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m120 67.11 -54.46 0.46 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.051 0.94 . . . . 0.0 112.593 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.03 49.36 0.4 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.448 0.642 . . . . 0.0 109.331 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.492 ' O ' ' HA ' ' A' ' 27' ' ' SER . 3.5 mtp180 -140.05 142.51 36.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.611 -172.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -156.32 103.36 2.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.365 -0.834 . . . . 0.0 108.824 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.554 HD11 HD22 ' A' ' 47' ' ' LEU . 4.3 tt -161.14 139.14 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.369 -171.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 2.8 m-20 -109.8 141.63 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.47 HG12 ' HD2' ' A' ' 37' ' ' PHE . 40.5 t -116.11 117.72 56.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 p -111.94 134.66 53.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.628 0.252 . . . . 0.0 110.556 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.47 ' HD2' HG12 ' A' ' 35' ' ' VAL . 19.0 p90 -159.96 145.44 15.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.394 0.616 . . . . 0.0 111.392 -173.731 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.772 ' H ' ' HZ ' ' A' ' 43' ' ' PHE . 55.3 mt-10 -104.43 144.06 32.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.293 175.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.638 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.3 mp -59.86 125.41 23.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.363 -173.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.09 38.59 54.93 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.982 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.4 t -131.38 148.88 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.44 136.02 43.02 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.772 ' HZ ' ' H ' ' A' ' 38' ' ' GLU . 35.1 m-85 -131.24 149.03 52.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.666 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -139.7 107.68 5.71 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -158.54 168.37 27.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.049 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.509 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 15.0 t -99.95 123.07 43.8 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.709 0.766 . . . . 0.0 110.268 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.554 HD22 HD11 ' A' ' 33' ' ' ILE . 81.2 mt -103.79 137.91 41.13 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.047 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.87 30.47 15.94 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.596 0.56 . . . . 0.0 111.608 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 54.59 44.16 29.1 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.844 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.13 -57.51 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.295 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.507 HG22 ' CZ ' ' A' ' 70' ' ' ARG . 44.6 p -74.33 116.3 14.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.125 0.462 . . . . 0.0 109.858 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HG2' ' HB2' ' A' ' 46' ' ' SER . 90.9 mt-10 -106.26 97.93 7.67 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.745 HD21 HD23 ' A' ' 77' ' ' LEU . 10.7 mp -104.3 129.11 52.17 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.84 -171.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.666 HG23 ' HB2' ' A' ' 44' ' ' ALA . 10.2 m -111.27 111.35 22.35 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 171.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.592 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -167.19 165.23 38.46 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.429 -1.367 . . . . 0.0 113.552 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.8 t -110.28 144.66 38.65 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.512 -0.344 . . . . 0.0 110.484 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.525 ' HZ2' ' HB3' ' A' ' 64' ' ' LEU . 29.8 t-105 -114.02 136.22 53.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.768 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.4 p -138.2 135.49 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.642 0.258 . . . . 0.0 110.514 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.1 ttt -107.43 113.41 26.74 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.546 ' O ' ' HE3' ' A' ' 63' ' ' LYS . 56.0 mm-40 -103.53 104.67 14.76 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.95 -118.5 13.34 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.105 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -107.34 40.32 1.71 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.036 0.446 . . . . 0.0 110.315 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.614 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -120.85 131.22 54.29 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.892 176.205 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.525 ' HB3' ' HZ2' ' A' ' 57' ' ' TRP . 71.1 mt -110.72 111.92 23.44 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.902 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.451 ' HA ' HG12 ' A' ' 80' ' ' VAL . 77.2 t -132.81 123.19 48.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.79 -174.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.512 ' HA3' ' CE3' ' A' ' 57' ' ' TRP . . . -142.04 122.0 1.92 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 177.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HA ' HG12 ' A' ' 78' ' ' ILE . 86.7 tttt -105.92 104.73 14.5 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.618 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 7.1 m-85 -114.9 148.5 38.56 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.572 -175.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 9.5 ttpp -103.73 114.69 29.14 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.456 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.678 ' HD2' ' H ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -85.72 71.21 10.72 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 174.773 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 p -54.48 -24.79 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.52 -173.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.552 ' HB3' ' HD3' ' A' ' 70' ' ' ARG . 16.3 t70 -57.43 -31.18 65.63 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.791 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -171.06 -39.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.678 ' H ' ' HD2' ' A' ' 70' ' ' ARG . . . -83.59 -23.27 54.12 Favored Glycine 0 CA--C 1.507 -0.409 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.966 -169.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HG3' ' HG3' ' A' ' 76' ' ' GLU . 17.5 tppt? 73.84 -43.59 0.55 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.446 0.698 . . . . 0.0 112.081 -177.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.517 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 51.9 mt-10 -150.87 109.25 3.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.082 -0.386 . . . . 0.0 110.9 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.745 HD23 HD21 ' A' ' 53' ' ' LEU . 58.5 tp -116.32 104.87 11.92 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.491 173.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.481 HG22 HG13 ' A' ' 80' ' ' VAL . 68.8 mt -108.57 124.23 64.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.454 -174.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HB3' ' HZ3' ' A' ' 57' ' ' TRP . . . -104.06 124.82 49.74 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.481 HG13 HG22 ' A' ' 78' ' ' ILE . 2.2 m -145.06 130.64 13.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.405 -172.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.745 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 22.7 tpt180 -166.65 151.94 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 172.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.614 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 21.7 pt-20 -103.68 163.47 12.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.169 172.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.2 mm -102.05 125.21 56.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.646 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 13.0 m -103.44 108.73 20.09 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.95 -119.85 18.8 Favored Glycine 0 C--N 1.333 0.401 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -171.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -123.15 95.97 4.82 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.247 165.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' ' 84' ' ' SER . 16.6 pt-20 -170.21 148.92 3.38 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.6 tp -122.38 123.56 41.65 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 119.564 -0.855 . . . . 0.0 111.675 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.745 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 3.7 mp -104.67 155.92 6.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 167.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 3.8 tp-100 -135.19 115.72 13.68 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 118.823 0.738 . . . . 0.0 110.56 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.558 HG23 ' HB3' ' A' ' 100' ' ' LYS . 1.3 m -106.17 127.89 53.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.551 ' HD2' HD11 ' A' ' 77' ' ' LEU . 7.4 m-85 -104.0 114.61 28.98 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.175 170.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 25.6 m -99.26 103.47 15.32 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 174.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.517 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -111.5 122.35 47.61 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.682 -171.182 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 67.91 -62.83 0.34 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.978 0.799 . . . . 0.0 111.049 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.16 25.98 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.278 -0.487 . . . . 0.0 112.065 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 93' ' ' THR . 15.6 m -133.01 139.57 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.67 0.272 . . . . 0.0 110.608 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.2 134.14 49.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.164 0.506 . . . . 0.0 111.348 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.15 129.67 32.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.558 ' HB3' HG23 ' A' ' 91' ' ' THR . 53.4 pttt -132.8 142.1 48.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.387 0.613 . . . . 0.0 112.173 -172.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -120.0 143.11 48.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.804 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.537 HG13 HG13 ' A' ' 89' ' ' ILE . 13.9 tt -101.98 134.2 43.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.537 0.684 . . . . 0.0 111.869 -173.39 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.437 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . 19.0 m-85 -135.18 166.76 22.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.776 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 157.55 44.75 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.695 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -67.73 117.16 9.28 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.62 -177.583 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.782 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . . . . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 119.222 -0.418 . . . . 0.0 109.894 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.557 ' HB3' ' NE2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -152.42 122.93 7.29 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 118.358 0.526 . . . . 0.0 110.436 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.0 t70 51.26 30.31 5.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.809 -172.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.82 167.77 40.63 Favored Glycine 0 N--CA 1.437 -1.254 0 CA-C-N 114.188 -1.369 . . . . 0.0 110.892 -173.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.627 HG22 ' OG1' ' A' ' 14' ' ' THR . 82.7 p -100.96 123.43 45.14 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.782 ' CD1' ' HA ' ' A' ' 1' ' ' ALA . 3.1 m0 -128.46 104.09 7.5 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.922 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 10.1 tptm -166.64 169.49 13.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.149 0.499 . . . . 0.0 111.441 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -99.83 146.5 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.182 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.31 132.49 3.44 Favored Glycine 0 C--N 1.336 0.559 0 O-C-N 123.781 0.676 . . . . 0.0 114.186 -172.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.79 -34.71 5.14 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.849 HD22 ' HA ' ' A' ' 28' ' ' SER . 25.2 mt -104.9 165.69 10.9 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -143.77 148.9 36.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.606 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.922 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 1.2 tt -154.91 123.26 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.627 ' OG1' HG22 ' A' ' 5' ' ' THR . 8.7 m -142.3 135.93 29.23 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.45 -177.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.544 HG12 ' HA ' ' A' ' 24' ' ' VAL . 36.4 mt -129.47 127.86 65.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 175.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.0 m -113.34 132.06 55.73 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 173.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.557 ' NE2' ' HB3' ' A' ' 2' ' ' PHE . 3.8 pm0 -130.96 147.73 52.63 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.672 -170.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -135.51 95.53 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.057 0.456 . . . . 0.0 110.363 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.14 -68.89 1.67 Allowed Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.45 -174.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.488 ' HB2' HD23 ' A' ' 39' ' ' LEU . 0.2 OUTLIER -162.11 97.52 1.03 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.929 0.871 . . . . 0.0 109.24 168.533 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 29.6 ttpt -169.55 104.82 0.35 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD1' HD21 ' A' ' 39' ' ' LEU . 3.9 m-85 -107.47 136.07 47.87 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.511 -172.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 14.8 t -129.43 129.15 44.3 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 173.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.663 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 57.7 t -103.89 126.88 58.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 -171.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.724 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 52.0 tttp -101.8 102.97 13.66 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 172.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -112.99 137.06 51.96 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.336 0.589 . . . . 0.0 111.055 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 15.5 m -151.77 117.92 5.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.965 178.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.849 ' HA ' HD22 ' A' ' 11' ' ' LEU . 70.9 m -153.68 144.38 22.57 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.6 m120 65.21 -77.46 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.96 0.788 . . . . 0.0 110.933 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -171.71 58.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.125 0.488 . . . . 0.0 111.039 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -157.47 138.35 13.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.777 173.328 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -118.41 134.11 55.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.554 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.3 tp -159.71 146.66 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.642 0.258 . . . . 0.0 111.06 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.663 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 24.5 p-10 -120.41 141.08 50.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 110.776 177.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.1 t -128.68 112.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.097 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 9.9 p -103.6 134.32 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.884 0.373 . . . . 0.0 110.5 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 12.0 p90 -153.99 150.17 27.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.865 -174.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.555 ' HB3' HG21 ' A' ' 41' ' ' VAL . 67.9 tt0 -103.24 141.43 35.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.488 HD23 ' HB2' ' A' ' 20' ' ' ASN . 3.9 mm? -62.55 126.56 27.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.198 0.523 . . . . 0.0 111.429 -173.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.89 30.28 61.72 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.596 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 38' ' ' GLU . 88.9 t -119.26 139.0 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 122.621 -0.341 . . . . 0.0 110.528 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -102.77 137.96 40.29 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 45.8 p90 -161.78 153.28 18.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.846 0.355 . . . . 0.0 111.019 -173.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.42 129.67 50.58 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -140.42 136.62 33.25 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.086 -173.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 51' ' ' THR . 29.1 t -103.99 130.0 51.62 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.175 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.666 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 88.3 mt -117.0 135.1 53.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.623 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.73 29.93 14.71 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.43 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 50.93 40.43 25.14 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.265 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.88 -55.88 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.285 -0.96 . . . . 0.0 113.219 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.666 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 12.2 p -76.81 132.6 39.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.378 0.589 . . . . 0.0 109.759 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -124.05 97.54 5.39 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.559 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 9.3 mp -104.01 128.95 51.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.531 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 m -118.71 111.14 18.12 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.95 165.31 38.45 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 119.023 -1.56 . . . . 0.0 114.086 -174.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 t -104.67 143.64 32.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.278 -0.461 . . . . 0.0 109.832 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.484 ' CZ2' ' HB3' ' A' ' 64' ' ' LEU . 67.9 t-105 -123.55 137.87 54.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.757 -0.201 . . . . 0.0 110.933 -177.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.5 p -137.32 148.2 46.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 110.85 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.607 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.9 ttt -133.7 113.0 11.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 174.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -103.53 104.77 14.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.161 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.04 -79.52 0.1 Allowed Glycine 0 C--N 1.331 0.277 0 O-C-N 123.437 0.46 . . . . 0.0 112.608 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.494 ' HB2' ' HB ' ' A' ' 83' ' ' ILE . 10.9 p30 -144.5 41.12 1.34 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.51 0.671 . . . . 0.0 109.415 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.607 ' O ' ' HA ' ' A' ' 59' ' ' MET . 27.0 mmtp -124.93 117.12 23.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.953 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.484 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 75.3 mt -103.81 105.61 15.88 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.287 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.421 HG22 HG13 ' A' ' 80' ' ' VAL . 24.9 t -142.78 142.05 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.528 -172.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.02 -147.8 5.66 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HA ' HG12 ' A' ' 78' ' ' ILE . 34.8 ttmt -166.05 117.7 1.05 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.464 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 9.3 m-85 -120.61 140.2 51.88 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.113 0.482 . . . . 0.0 110.575 -177.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.744 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 53.3 tttm -104.59 113.21 26.63 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.217 -175.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.562 ' HG3' ' HB3' ' A' ' 73' ' ' ASN . 13.4 tpt180 -95.91 74.72 3.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.648 -178.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.97 -38.9 83.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.933 -172.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -80.31 36.56 0.36 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.898 0.38 . . . . 0.0 111.709 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.562 ' HB3' ' HG3' ' A' ' 70' ' ' ARG . 54.4 t30 -166.16 -43.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.922 0.391 . . . . 0.0 110.345 176.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.03 -90.62 0.08 OUTLIER Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.635 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.744 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 61.1 pttt -170.62 -28.12 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 176.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 94' ' ' TYR . 40.6 mt-10 -145.53 115.19 7.26 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.704 -172.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 94' ' ' TYR . 64.5 tp -132.28 105.07 7.09 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.047 173.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.446 HG12 ' HA ' ' A' ' 67' ' ' LYS . 51.5 mt -114.79 139.31 41.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.137 -171.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.544 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -107.23 127.77 53.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.421 HG13 HG22 ' A' ' 65' ' ' VAL . 89.8 t -140.74 128.18 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.737 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 22.0 tpt180 -166.38 147.38 6.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.037 0.446 . . . . 0.0 112.107 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' CB ' ' HD3' ' A' ' 63' ' ' LYS . 5.9 pm0 -104.59 150.15 24.9 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.354 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.494 ' HB ' ' HB2' ' A' ' 62' ' ' ASN . 4.7 mp -103.37 116.1 46.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.478 ' O ' ' HG3' ' A' ' 87' ' ' GLU . 8.0 m -104.69 126.75 52.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.153 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.98 -120.42 21.59 Favored Glycine 0 C--N 1.334 0.442 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -129.38 97.84 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.057 0.932 . . . . 0.0 110.304 166.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 84' ' ' SER . 2.2 pp20? -170.57 166.57 8.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.632 175.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.589 HD22 ' N ' ' A' ' 1' ' ' ALA . 17.0 tp -147.07 123.21 10.82 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.807 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.737 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 54.0 mt -103.38 159.67 4.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 168.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -136.53 121.47 18.8 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 121.757 -0.589 . . . . 0.0 110.723 -175.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.833 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -110.1 125.97 53.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.78 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -104.72 113.3 26.79 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 170.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 98' ' ' GLU . 10.7 m -103.32 103.56 13.58 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.643 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.537 ' HB2' HD13 ' A' ' 77' ' ' LEU . 23.3 t80 -108.4 122.88 47.92 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.226 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 53.15 48.0 23.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.951 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.87 -11.47 53.51 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.802 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.1 t -102.82 119.02 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 117.538 0.669 . . . . 0.0 110.509 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 93' ' ' THR . 15.5 pt-20 -104.96 134.54 47.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.347 0.594 . . . . 0.0 111.383 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.24 136.06 46.72 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.833 ' HB3' HG23 ' A' ' 91' ' ' THR . 21.9 pttm -136.63 142.81 43.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.51 0.672 . . . . 0.0 112.519 -173.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -121.02 149.58 42.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.391 175.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.47 HG12 HG12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.96 134.32 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.42 0.628 . . . . 0.0 111.39 -172.454 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -131.06 166.4 21.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.791 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.98 165.3 30.26 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.714 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -58.2 127.92 34.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.194 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.134 179.655 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -103.89 -105.39 0.29 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.288 -0.165 . . . . 0.0 110.593 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 t0 61.82 53.1 3.24 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.569 0.7 . . . . 0.0 109.786 -176.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.02 167.56 39.31 Favored Glycine 0 N--CA 1.442 -0.911 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.734 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 39.0 p -101.14 123.54 45.45 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.421 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 13.3 m0 -116.22 103.52 10.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.708 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.673 ' HE2' ' HB2' ' A' ' 11' ' ' LEU . 6.6 mmmt -166.08 170.32 13.61 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.989 0.9 . . . . 0.0 113.219 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.647 HG22 ' HE3' ' A' ' 104' ' ' LYS . 49.4 t -99.27 143.03 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 113.563 -1.653 . . . . 0.0 108.023 172.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.87 126.06 6.75 Favored Glycine 0 C--N 1.331 0.295 0 O-C-N 123.682 0.614 . . . . 0.0 113.207 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.69 -49.84 0.9 Allowed Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 121.154 -0.546 . . . . 0.0 111.759 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.673 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -108.72 165.02 11.87 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.165 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -133.04 136.06 45.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.351 0.596 . . . . 0.0 110.864 175.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.711 HD21 HG13 ' A' ' 24' ' ' VAL . 4.5 tt -132.84 131.69 41.3 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.532 ' N ' HD23 ' A' ' 13' ' ' LEU . 6.5 m -135.82 125.84 26.03 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.983 0.42 . . . . 0.0 110.855 -174.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.532 HG12 ' HA ' ' A' ' 24' ' ' VAL . 65.5 mt -126.04 119.32 54.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.028 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 m -131.32 129.49 41.51 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.6 pm0 -112.58 134.89 53.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.309 0.576 . . . . 0.0 110.954 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -107.67 90.56 3.34 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.007 175.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.97 -106.59 2.31 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -168.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -124.32 98.55 5.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 37.7 tttm -169.8 105.21 0.34 Allowed 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -104.86 148.01 27.12 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.357 0.599 . . . . 0.0 111.392 -171.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.6 t -155.77 130.4 9.07 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.367 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.711 HG13 HD21 ' A' ' 13' ' ' LEU . 95.7 t -104.71 122.3 57.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.877 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.705 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 79.3 tttt -101.98 103.7 14.34 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -104.49 132.99 50.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.969 0.414 . . . . 0.0 110.356 -176.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 5.8 m -139.66 138.79 36.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.416 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.557 ' HA ' HD22 ' A' ' 11' ' ' LEU . 65.9 m -160.07 131.35 5.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.428 0.156 . . . . 0.0 110.959 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 m120 68.4 -64.42 0.3 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.974 0.796 . . . . 0.0 112.707 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -170.7 56.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.298 0.571 . . . . 0.0 110.135 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 28' ' ' SER . 24.3 ptt85 -166.03 165.09 18.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.203 -177.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.95 138.56 14.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.62 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.783 HD11 ' HB3' ' A' ' 47' ' ' LEU . 10.9 tt -155.13 133.35 2.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.564 -174.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.547 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 29.8 p-10 -106.09 137.85 43.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.475 0.655 . . . . 0.0 111.775 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 23' ' ' THR . 40.9 t -107.1 113.61 43.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.212 -0.904 . . . . 0.0 108.607 173.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.9 p -103.91 133.78 46.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.602 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.672 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -164.58 132.51 3.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.332 0.587 . . . . 0.0 111.203 -176.097 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -104.7 137.84 41.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.945 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.676 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.9 mp -49.98 120.8 4.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.206 -171.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.11 36.28 90.15 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.688 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.9 t -130.3 145.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.452 ' HB3' ' HB ' ' A' ' 56' ' ' THR . 32.3 p-10 -100.4 143.99 29.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.076 0.465 . . . . 0.0 109.801 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 54' ' ' THR . 22.1 p90 -148.77 149.04 30.7 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.875 -169.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.74 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -136.95 122.95 20.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.437 -178.087 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -166.36 163.81 17.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.484 ' HB3' ' HG2' ' A' ' 52' ' ' GLU . 75.2 p -103.96 127.37 51.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.056 177.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.783 ' HB3' HD11 ' A' ' 33' ' ' ILE . 53.9 mt -103.62 126.51 50.81 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.412 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 53.28 31.87 12.54 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.025 0.828 . . . . 0.0 111.61 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 49.15 44.12 22.89 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.785 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.44 -57.04 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.379 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.533 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 58.4 p -95.69 123.48 39.27 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.557 -0.378 . . . . 0.0 110.098 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' A' ' 46' ' ' SER . 46.1 mt-10 -118.89 90.73 3.39 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.65 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.758 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 9.5 mp -103.24 120.36 40.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.203 0.525 . . . . 0.0 111.189 -173.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.74 HG23 ' HB2' ' A' ' 44' ' ' ALA . 10.6 m -104.17 111.58 24.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.342 172.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.557 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -165.98 166.74 38.84 Favored Glycine 0 N--CA 1.437 -1.296 0 C-N-CA 118.664 -1.731 . . . . 0.0 114.076 -172.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.452 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -136.75 136.85 39.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.03 -0.585 . . . . 0.0 109.547 177.578 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.74 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -128.45 157.75 40.25 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.525 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.1 p -120.68 141.49 50.36 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.155 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.654 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.4 ttt -111.03 118.17 35.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.354 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -139.72 123.45 17.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.647 178.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.28 44.51 94.99 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.942 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.7 m120 64.63 44.6 3.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.26 0.552 . . . . 0.0 110.734 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.654 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.7 OUTLIER -132.49 131.85 42.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.527 175.055 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.534 HD22 ' HE1' ' A' ' 57' ' ' TRP . 37.5 mt -114.7 103.23 10.78 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.414 -177.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.688 HG22 HG13 ' A' ' 80' ' ' VAL . 44.9 t -145.55 120.86 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.65 0.262 . . . . 0.0 111.283 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.74 ' HA3' ' HA ' ' A' ' 57' ' ' TRP . . . -143.05 -136.55 3.19 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.734 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.537 ' C ' ' HD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -160.75 116.49 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.512 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.77 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -123.89 142.6 50.99 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -174.103 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.758 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 3.6 ttmp? -106.8 125.44 51.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.942 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.665 ' HD2' ' HB3' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -116.95 80.29 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.081 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.12 -33.5 62.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' HB3' ' HE ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -57.5 -38.02 73.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.553 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.665 ' HB3' ' HD2' ' A' ' 70' ' ' ARG . 48.7 t30 -106.6 -37.05 6.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.038 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -154.32 -105.85 0.26 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.15 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.599 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 26.9 ttpp -152.85 -30.61 0.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.492 -176.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 46.5 mt-10 -144.41 120.58 10.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.947 0.403 . . . . 0.0 111.532 -175.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.77 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 64.0 tp -135.39 103.99 5.69 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.8 mt -103.25 142.71 16.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.449 -166.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -102.25 117.15 34.15 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.688 HG13 HG22 ' A' ' 65' ' ' VAL . 96.1 t -136.91 125.94 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.26 -177.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.731 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 17.0 tpt180 -166.36 150.66 7.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.091 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.643 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 16.9 pt-20 -119.12 149.86 41.0 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.529 HG13 HD13 ' A' ' 88' ' ' LEU . 4.7 mp -102.43 124.71 56.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -176.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -118.47 130.91 56.21 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.7 -127.04 43.6 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -175.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.02 95.23 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.481 168.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 83' ' ' ILE . 26.9 pt-20 -171.62 166.39 6.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 175.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.529 HD13 HG13 ' A' ' 83' ' ' ILE . 54.9 tp -152.14 128.49 10.6 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.799 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.731 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 17.0 mm -102.96 164.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 170.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -141.03 107.92 5.41 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.95 -0.469 . . . . 0.0 110.072 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.845 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -104.76 128.13 52.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.541 -175.297 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.745 ' HB3' HD11 ' A' ' 77' ' ' LEU . 22.9 m-85 -103.85 111.76 24.43 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.459 170.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 98' ' ' GLU . 10.3 m -102.99 106.34 16.84 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.996 0.427 . . . . 0.0 110.017 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.716 ' HB2' HD13 ' A' ' 77' ' ' LEU . 32.0 t80 -103.59 124.55 49.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.208 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 64.32 -72.06 0.06 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 124.07 0.856 . . . . 0.0 111.542 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.68 24.59 0.26 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.0 m -133.08 141.69 44.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.618 ' HB2' HG22 ' A' ' 91' ' ' THR . 11.3 pt-20 -118.91 126.04 50.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.512 0.672 . . . . 0.0 111.877 -175.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.29 133.63 52.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 173.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.845 ' HB3' HG23 ' A' ' 91' ' ' THR . 13.1 ptpt -128.22 139.41 52.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.746 0.784 . . . . 0.0 112.695 -172.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HG2' ' CZ ' ' A' ' 103' ' ' PHE . 8.2 tpt180 -105.46 139.32 40.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.458 175.063 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.421 HG23 ' CD1' ' A' ' 89' ' ' ILE . 68.2 mt -103.54 133.67 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.884 0.373 . . . . 0.0 111.575 -173.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.451 ' CD1' ' HD3' ' A' ' 7' ' ' LYS . 68.1 m-85 -139.04 161.78 36.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.39 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.647 ' HE3' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -153.06 153.08 32.13 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.541 ' HD3' ' N ' ' A' ' 106' ' ' GLU . 7.6 tmtt? -60.69 127.17 30.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.617 0.246 . . . . 0.0 110.693 -177.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.541 ' N ' ' HD3' ' A' ' 105' ' ' LYS . 30.7 tt0 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.595 -0.716 . . . . 0.0 110.052 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -73.06 -111.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.372 -178.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.5 t0 60.67 56.21 3.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.355 0.597 . . . . 0.0 109.391 -173.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.74 167.43 36.5 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.712 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.445 HG22 ' OG1' ' A' ' 14' ' ' THR . 13.0 p -100.86 128.39 46.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.146 0.498 . . . . 0.0 110.607 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.423 ' HD1' ' C ' ' A' ' 5' ' ' THR . 12.2 m0 -127.63 103.82 7.53 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.094 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 22.0 tptt -166.19 166.88 16.65 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.77 HG22 ' HE3' ' A' ' 104' ' ' LYS . 35.9 t -103.52 142.25 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 113.644 -1.617 . . . . 0.0 108.409 170.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.1 141.45 20.53 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 121.667 -0.301 . . . . 0.0 113.679 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.18 -33.9 5.21 Favored Glycine 0 C--N 1.331 0.29 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.9 HD12 ' HE3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -138.4 164.78 28.47 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 176.406 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.567 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 20.5 ptmt -140.05 150.99 45.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 118.594 0.634 . . . . 0.0 111.255 -177.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.094 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 1.4 tt -142.89 133.26 24.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.748 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.445 ' OG1' HG22 ' A' ' 5' ' ' THR . 8.8 m -136.14 130.11 32.79 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.79 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -124.48 125.69 70.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.0 m -135.92 146.97 47.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -177.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 2.8 pp0? -130.23 165.09 23.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.211 0.529 . . . . 0.0 111.453 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -147.15 78.3 1.48 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.994 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.69 -103.38 2.83 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -167.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.42 ' HB3' HD13 ' A' ' 39' ' ' LEU . 79.1 m-20 -131.78 96.32 3.92 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 164.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 1.9 ttmp? -169.4 106.53 0.39 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.548 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 7.8 m-85 -108.04 130.69 55.06 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.067 -172.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -113.48 139.89 48.57 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 173.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.602 HG13 HD21 ' A' ' 13' ' ' LEU . 56.8 t -121.4 127.74 75.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.01 -173.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.841 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 17.3 tttm -103.06 104.38 14.55 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 178.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.44 166.68 10.28 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 174.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.982 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 71.1 m -156.58 114.08 3.2 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.067 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 18.9 m -148.25 103.58 3.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.594 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 28' ' ' SER . 50.5 t-20 163.56 -72.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 105.515 -2.031 . . . . 0.0 105.515 -177.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.413 ' C ' ' HD2' ' A' ' 31' ' ' ARG . 60.9 m-85 -125.92 -57.98 1.41 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 103.876 -2.638 . . . . 0.0 103.876 157.622 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.982 ' HA ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -170.41 99.92 0.26 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 113.072 -1.876 . . . . 0.0 109.697 166.769 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.629 ' O ' HG12 ' A' ' 33' ' ' ILE . 53.1 t30 -170.84 108.66 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 32' ' ' ASN . 2.3 mm -168.81 145.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.735 171.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.79 136.22 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.533 0.683 . . . . 0.0 111.285 172.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.482 HG12 ' HD2' ' A' ' 37' ' ' PHE . 58.8 t -127.79 116.63 43.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.183 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.7 p -112.1 132.9 59.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.678 0.275 . . . . 0.0 110.409 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 22' ' ' PHE . 27.7 p90 -153.52 145.5 23.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.546 0.689 . . . . 0.0 111.787 -175.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.553 ' HB2' HG21 ' A' ' 41' ' ' VAL . 46.2 mt-10 -104.47 145.2 30.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.675 174.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' A' ' 20' ' ' ASN . 10.3 mp -62.75 121.74 14.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.938 0.399 . . . . 0.0 110.809 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.99 39.54 45.86 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.682 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.553 HG21 ' HB2' ' A' ' 38' ' ' GLU . 55.3 t -130.96 138.66 53.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -101.54 137.29 40.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.697 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 32.3 p90 -155.36 165.21 37.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.232 -174.279 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.711 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -146.99 130.99 17.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.276 -177.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -165.63 168.81 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.774 175.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -99.86 126.36 45.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.515 0.674 . . . . 0.0 110.08 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.8 mt -104.39 138.75 40.34 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.164 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 33' ' ' ILE . . . 68.97 -68.22 0.19 Allowed 'General case' 0 C--O 1.234 0.264 0 O-C-N 124.452 1.095 . . . . 0.0 111.343 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 t70 176.26 20.77 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.122 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 -70.67 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 119.166 -1.493 . . . . 0.0 114.293 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.689 ' HA ' ' CZ ' ' A' ' 70' ' ' ARG . 80.7 p -58.55 122.06 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.169 0.484 . . . . 0.0 111.831 -172.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -114.38 91.01 3.48 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.716 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 11.2 mp -100.88 123.44 45.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.353 0.597 . . . . 0.0 111.41 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.711 HG23 ' HB2' ' A' ' 44' ' ' ALA . 8.2 m -104.59 111.31 23.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.145 175.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.02 165.43 38.11 Favored Glycine 0 N--CA 1.439 -1.14 0 C-N-CA 119.092 -1.528 . . . . 0.0 113.84 -175.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 8.2 t -103.42 146.37 28.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.291 -0.455 . . . . 0.0 110.046 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.593 ' HZ2' ' HB3' ' A' ' 64' ' ' LEU . 35.2 t-105 -124.42 137.09 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.461 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.6 p -131.9 143.45 50.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.326 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.478 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 26.4 ttt -128.07 107.53 9.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.037 0.446 . . . . 0.0 110.267 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -104.45 104.62 14.51 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.547 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.58 -83.48 0.28 Allowed Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 112.681 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.484 ' HB2' ' HB ' ' A' ' 83' ' ' ILE . 17.2 p30 -145.87 39.93 1.15 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.714 0.768 . . . . 0.0 109.121 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 59' ' ' MET . 12.6 mptt -125.82 126.21 44.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.372 178.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.593 ' HB3' ' HZ2' ' A' ' 57' ' ' TRP . 63.7 mt -107.16 109.58 21.44 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.744 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.575 ' HA ' HG22 ' A' ' 80' ' ' VAL . 65.9 t -135.44 140.67 44.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.664 -174.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.5 -160.19 10.93 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.598 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -165.07 113.19 1.02 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.687 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 5.1 m-85 -119.87 149.81 41.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.935 0.398 . . . . 0.0 111.096 -174.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.716 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 36.3 ttmt -103.67 127.05 51.17 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.941 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.728 ' HG3' ' HB3' ' A' ' 73' ' ' ASN . 22.7 tpt180 -123.0 85.13 2.37 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.107 -177.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.86 -38.71 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.268 -170.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.684 ' HB3' ' NH1' ' A' ' 70' ' ' ARG . 27.2 t70 -80.83 45.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.431 0.634 . . . . 0.0 110.979 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.728 ' HB3' ' HG3' ' A' ' 70' ' ' ARG . 42.1 t30 -166.36 -51.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.886 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.626 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . 176.56 38.29 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.812 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.476 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 65.6 pttt 43.96 32.06 0.58 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.696 1.198 . . . . 0.0 113.455 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 17.3 mt-10 -165.31 142.85 5.92 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.019 0.437 . . . . 0.0 111.713 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 40.9 tp -168.58 108.99 0.51 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.49 171.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.498 HG22 HG23 ' A' ' 80' ' ' VAL . 70.9 mt -109.69 129.07 65.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -171.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.604 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -108.02 122.48 46.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 173.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 65' ' ' VAL . 54.9 t -144.9 131.25 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -177.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.674 ' HG2' ' HB ' ' A' ' 89' ' ' ILE . 14.6 tpt180 -166.02 150.09 7.91 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 121.006 0.431 . . . . 0.0 112.033 176.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -105.08 158.42 16.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.78 176.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' A' ' 62' ' ' ASN . 3.1 mp -103.16 119.98 52.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 25.3 t -107.79 122.76 47.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.956 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.57 -121.13 25.1 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -173.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.85 95.93 4.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.66 0.743 . . . . 0.0 109.205 165.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 84' ' ' SER . 12.0 pt-20 -170.5 150.09 3.39 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.437 -1.256 . . . . 0.0 107.649 174.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 tp -124.35 133.99 53.28 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.368 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.674 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 15.6 mm -113.29 156.53 14.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 171.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 7.9 tt0 -140.77 111.53 6.97 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.616 -0.433 . . . . 0.0 109.999 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.604 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -106.63 131.73 53.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.474 -176.158 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -103.23 106.91 17.53 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.9 m -104.43 136.64 43.62 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.594 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.626 ' OH ' ' HA3' ' A' ' 74' ' ' GLY . 52.8 t80 -161.33 135.77 7.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 65.79 -69.48 0.11 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.934 0.771 . . . . 0.0 112.293 174.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.29 28.62 0.11 Allowed Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.0 m -139.92 147.92 23.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.768 0.318 . . . . 0.0 110.419 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 17.9 pt-20 -126.22 126.89 44.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.482 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.47 114.8 24.73 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.574 ' HB3' HG23 ' A' ' 91' ' ' THR . 17.8 pttm -120.08 136.7 54.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.607 0.718 . . . . 0.0 111.762 -178.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.661 ' HE ' ' HZ ' ' A' ' 103' ' ' PHE . 38.2 ttp180 -106.76 138.21 43.36 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.466 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.486 HG13 HD12 ' A' ' 89' ' ' ILE . 3.3 mp -102.03 132.05 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.897 0.38 . . . . 0.0 111.5 -169.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.661 ' HZ ' ' HE ' ' A' ' 101' ' ' ARG . 5.5 m-85 -136.38 165.65 25.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.564 178.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.77 ' HE3' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.75 153.09 42.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 178.176 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -58.09 133.88 55.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.648 0.261 . . . . 0.0 110.873 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--O 1.246 0.877 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 173.941 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.514 0.197 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -145.47 162.78 36.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.35 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -174.71 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.203 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.024 ' HA3' HG23 ' A' ' 14' ' ' THR . . . 175.95 89.96 0.08 OUTLIER Glycine 0 N--CA 1.418 -2.55 0 C-N-CA 116.714 -2.66 . . . . 0.0 114.754 159.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.78 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -176.03 102.26 0.07 Allowed 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 122.103 -0.646 . . . . 0.0 111.248 155.261 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.587 ' CE2' ' HD3' ' A' ' 105' ' ' LYS . 12.2 m95 -140.22 98.45 3.44 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 173.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.87 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 27.2 tptt -168.82 166.66 11.4 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.864 -0.735 . . . . 0.0 112.483 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.412 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 28.7 t -103.86 137.77 31.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.497 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.22 -134.53 44.97 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.869 -0.605 . . . . 0.0 114.289 171.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.59 34.57 2.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.265 -0.493 . . . . 0.0 113.069 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' HB2' ' CG ' ' A' ' 7' ' ' LYS . 18.5 mt -120.79 143.18 48.97 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -121.45 141.71 50.74 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.074 0.464 . . . . 0.0 110.794 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.87 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 3.0 tt -141.17 132.58 26.79 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 1.024 HG23 ' HA3' ' A' ' 4' ' ' GLY . 20.2 m -128.26 129.12 45.9 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.965 -176.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.823 ' H ' ' HA2' ' A' ' 4' ' ' GLY . 57.5 mt -123.99 98.29 5.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.501 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 m -104.3 139.3 39.49 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.284 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.594 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 2.5 pp0? -149.67 144.55 26.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.392 0.615 . . . . 0.0 112.505 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -99.76 -118.06 0.15 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.141 174.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.43 -54.41 16.31 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.012 -1.09 . . . . 0.0 110.883 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -158.72 97.13 1.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.644 0.735 . . . . 0.0 109.147 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.594 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 35.9 tttm -170.78 115.85 0.46 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.592 -1.185 . . . . 0.0 107.95 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 7.3 m-85 -113.39 148.05 36.55 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.739 -174.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.497 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 15.3 t -141.13 136.05 31.5 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.861 174.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.793 HG13 HD21 ' A' ' 13' ' ' LEU . 82.1 t -113.5 129.41 69.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.296 -173.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.777 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 34.0 ttmt -101.12 110.14 22.12 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -107.94 132.48 53.45 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 120.928 0.394 . . . . 0.0 111.071 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 18.8 m -144.34 118.1 9.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.424 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 70.5 m -160.51 143.09 13.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.139 -177.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 67.04 -75.47 0.06 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 124.015 0.822 . . . . 0.0 111.194 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -167.74 57.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.197 0.522 . . . . 0.0 110.037 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.538 ' O ' ' HA ' ' A' ' 27' ' ' SER . 27.2 ptt180 -162.35 142.08 9.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.98 0.419 . . . . 0.0 111.417 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -127.04 129.06 47.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.7 tt -154.68 139.23 9.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.836 0.35 . . . . 0.0 110.566 -175.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.633 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 35.3 m-20 -110.56 133.65 53.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.363 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 23' ' ' THR . 16.3 t -110.54 110.34 31.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.5 p -103.62 138.45 28.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.581 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 18.7 p90 -159.35 145.03 16.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.459 0.647 . . . . 0.0 111.215 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.495 ' HB2' HG21 ' A' ' 41' ' ' VAL . 98.4 mt-10 -103.96 148.44 26.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.556 177.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.81 124.44 21.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.36 37.76 58.76 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.733 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 56' ' ' THR . 78.3 t -125.61 135.22 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.772 0.286 . . . . 0.0 110.545 178.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.457 ' HB3' ' HB ' ' A' ' 56' ' ' THR . 2.4 p30 -103.99 139.28 39.34 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 45.0 p90 -162.66 155.17 19.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.829 -172.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -104.42 137.19 42.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.547 175.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -155.04 142.33 19.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.683 0.277 . . . . 0.0 110.55 -175.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.3 t -102.72 128.24 49.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.868 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.525 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 95.5 mt -112.57 125.83 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.177 -176.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.85 31.11 15.05 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.38 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.2 t0 49.19 49.83 18.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.168 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.78 -53.78 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.489 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.574 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 69.2 p -92.36 122.86 35.22 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.558 -0.377 . . . . 0.0 110.102 178.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -111.2 94.74 5.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 11.2 mp -104.42 124.27 48.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.423 -173.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 6.8 m -104.83 114.25 28.34 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.585 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.36 165.64 38.39 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 118.795 -1.669 . . . . 0.0 114.725 -173.148 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 9.3 t -106.49 148.66 27.93 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.113 -0.543 . . . . 0.0 109.998 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.746 ' HZ2' ' HB3' ' A' ' 64' ' ' LEU . 66.0 t-105 -125.5 140.81 52.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.465 ' OG1' HG13 ' A' ' 65' ' ' VAL . 20.7 p -133.37 142.76 48.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.995 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.1 ttt -125.2 106.01 9.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.244 0.545 . . . . 0.0 109.786 171.214 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -103.83 108.57 19.94 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.629 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.46 -104.92 1.15 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.974 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -124.6 40.78 3.66 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.411 0.624 . . . . 0.0 109.411 175.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 4.3 mppt? -124.88 128.38 48.58 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.932 177.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.746 ' HB3' ' HZ2' ' A' ' 57' ' ' TRP . 45.6 mt -108.47 122.04 46.21 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.006 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.465 HG13 ' OG1' ' A' ' 58' ' ' THR . 3.1 p -160.35 152.65 4.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.454 -169.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.57 -149.93 7.23 Favored Glycine 0 N--CA 1.439 -1.136 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.334 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 5.0 ttmp? -161.72 107.03 1.29 Allowed 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.572 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.592 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 6.6 m-85 -117.48 150.35 39.07 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.739 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 5.0 ptpp? -121.83 126.36 48.6 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.331 0.586 . . . . 0.0 111.34 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.607 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -94.45 106.67 18.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.365 -179.052 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -63.55 -40.47 89.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -173.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.497 ' HB3' ' NE ' ' A' ' 70' ' ' ARG . 35.0 t70 -62.05 -37.59 85.55 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.811 0.339 . . . . 0.0 111.404 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.576 ' H ' ' HD2' ' A' ' 70' ' ' ARG . 89.4 m-20 -71.12 -48.32 52.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.704 0.764 . . . . 0.0 109.777 176.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.36 -64.48 0.14 Allowed Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.502 ' C ' ' HB2' ' A' ' 69' ' ' LYS . 19.0 ptpt 176.04 54.03 0.0 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.066 -0.567 . . . . 0.0 111.473 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.739 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 3.1 mt-10 -168.01 139.72 2.94 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 176.262 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.607 ' HB2' ' HB2' ' A' ' 70' ' ' ARG . 5.0 tt -169.13 103.64 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 168.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 58.7 mt -118.81 131.0 72.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.945 0.403 . . . . 0.0 111.876 -169.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.627 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -106.67 129.65 54.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.001 174.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.7 t -140.82 129.01 23.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.676 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 13.7 tpt180 -166.71 148.95 6.44 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.455 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 12.4 pt-20 -105.71 166.06 10.73 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 171.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.6 mm -101.79 123.18 54.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 3.7 p -108.1 122.88 47.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.51 -121.97 26.41 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -123.93 96.68 5.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 122.276 1.036 . . . . 0.0 109.15 164.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.594 ' HA ' ' HA ' ' A' ' 104' ' ' LYS . 14.2 pt-20 -169.62 166.31 9.98 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.4 tp -138.4 127.23 23.76 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.391 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.676 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 32.1 mm -104.86 150.4 7.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 171.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.2 tp-100 -131.17 112.72 13.08 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.418 -176.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.627 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -104.58 125.99 51.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.329 -176.554 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.475 ' HD2' HD21 ' A' ' 77' ' ' LEU . 21.8 m-85 -104.29 107.24 18.06 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 5.7 m -104.22 134.34 47.61 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.12 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -145.85 122.36 11.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.977 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 68.3 -60.44 0.42 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.285 0.99 . . . . 0.0 111.638 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.89 31.36 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 93' ' ' THR . 22.0 t -131.68 130.06 61.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.64 126.14 55.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.245 0.545 . . . . 0.0 110.819 176.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.34 126.14 36.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.583 ' HB3' HG23 ' A' ' 91' ' ' THR . 18.5 pttm -130.85 137.28 49.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.141 0.496 . . . . 0.0 112.09 -172.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.65 ' HD3' ' CZ ' ' A' ' 103' ' ' PHE . 32.4 ttt-85 -104.79 154.73 19.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.535 178.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.3 tt -101.58 136.43 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.314 0.578 . . . . 0.0 112.001 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.65 ' CZ ' ' HD3' ' A' ' 101' ' ' ARG . 52.6 m-85 -144.65 167.51 22.38 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -141.69 162.92 34.3 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.513 -178.521 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.587 ' HD3' ' CE2' ' A' ' 6' ' ' TRP . 23.8 tptp -68.38 131.36 45.17 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.076 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.626 ' CB ' ' HB ' ' A' ' 5' ' ' THR . 8.1 tp10 . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.989 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.475 ' HB3' ' NE2' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.708 ' HB2' ' OE1' ' A' ' 17' ' ' GLN . 37.6 m-85 -73.95 -76.86 0.12 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.471 176.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 40.09 45.83 1.74 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.243 1.021 . . . . 0.0 110.968 -178.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.98 169.01 40.05 Favored Glycine 0 N--CA 1.44 -1.097 0 CA-C-N 113.899 -1.5 . . . . 0.0 110.943 -173.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.569 HG22 ' OG1' ' A' ' 14' ' ' THR . 48.6 p -99.91 129.29 45.98 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 1.035 ' HZ3' ' HA ' ' A' ' 87' ' ' GLU . 23.9 m95 -136.52 103.44 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -177.185 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.833 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 33.0 tptt -166.17 167.95 15.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.901 0.381 . . . . 0.0 111.51 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.728 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . 15.3 t -100.85 155.48 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.472 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.84 139.94 9.6 Favored Glycine 0 C--N 1.335 0.511 0 O-C-N 123.412 0.445 . . . . 0.0 113.506 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.63 -36.4 3.85 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.541 -0.623 . . . . 0.0 111.541 -175.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.691 HD22 ' HA ' ' A' ' 28' ' ' SER . 13.0 mt -111.44 165.23 12.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -142.78 148.7 37.62 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.596 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.833 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 4.5 tt -150.81 132.08 14.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.087 0.47 . . . . 0.0 109.783 -175.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.729 ' H ' ' HB3' ' A' ' 25' ' ' LYS . 19.1 m -142.26 136.43 29.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.011 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 23' ' ' THR . 48.7 mt -132.8 139.63 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -134.89 130.53 36.06 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.708 ' OE1' ' HB2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -163.6 168.86 19.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.516 -170.47 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 1.022 ' H ' ' HB2' ' A' ' 20' ' ' ASN . 12.6 pt-20 -166.29 59.54 0.1 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.524 0.73 . . . . 0.0 109.82 178.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.1 63.17 3.56 Favored Glycine 0 C--N 1.343 0.953 0 N-CA-C 107.255 -2.338 . . . . 0.0 107.255 -165.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 1.022 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 2.2 t-20 -149.09 -170.65 3.68 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -146.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 34.7 ttpt -96.63 123.46 40.31 Favored 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 110.87 -2.877 . . . . 0.0 106.451 176.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.59 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 1.3 m-30 -101.72 117.58 35.18 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.241 -168.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.583 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -108.56 124.52 50.6 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.468 -179.059 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.572 HG13 HD21 ' A' ' 13' ' ' LEU . 69.7 t -103.73 133.7 46.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.894 -175.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.729 ' HB3' ' H ' ' A' ' 14' ' ' THR . 74.3 tttt -101.84 105.37 16.2 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.769 ' HB3' HG23 ' A' ' 33' ' ' ILE . 6.7 tp10 -105.55 138.08 42.34 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -151.28 134.73 16.19 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.528 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.691 ' HA ' HD22 ' A' ' 11' ' ' LEU . 50.4 m -153.12 112.3 3.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.77 0.319 . . . . 0.0 111.414 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 66.1 -62.3 0.26 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.274 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.93 45.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.003 0.43 . . . . 0.0 111.155 -176.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -160.81 135.72 7.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.149 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -126.31 129.82 49.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.794 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.769 HG23 ' HB3' ' A' ' 26' ' ' GLU . 3.6 tt -146.59 134.95 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.043 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.554 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 13.1 p-10 -107.7 137.76 45.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.094 0.473 . . . . 0.0 110.796 178.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.57 109.49 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.4 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.4 p -106.68 132.2 54.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.003 0.43 . . . . 0.0 111.406 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.635 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 8.9 p90 -153.46 141.52 20.34 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.381 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.742 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 33.2 tt0 -100.7 143.75 30.49 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.587 -173.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.643 HD12 ' H ' ' A' ' 20' ' ' ASN . 1.1 mt -53.23 112.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.816 -175.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.3 40.74 69.75 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.08 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 38' ' ' GLU . 71.6 t -124.04 138.19 54.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.934 0.367 . . . . 0.0 110.348 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -106.85 133.93 50.76 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.635 ' HZ ' ' HB3' ' A' ' 37' ' ' PHE . 51.1 p90 -164.39 165.28 21.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -169.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -104.62 132.35 50.97 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 173.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -143.54 140.14 30.1 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 51' ' ' THR . 36.8 t -102.85 128.81 49.47 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 121.153 0.502 . . . . 0.0 110.132 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.407 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 54.1 mt -110.3 136.34 49.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.699 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.05 24.71 11.47 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.891 0.745 . . . . 0.0 110.755 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 51.67 38.84 23.82 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.263 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.52 -54.95 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.538 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.544 ' O ' ' HA ' ' A' ' 46' ' ' SER . 49.7 p -77.56 139.53 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -125.52 99.54 6.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.722 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 10.7 mp -103.97 124.16 48.5 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.306 -174.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 6.3 m -104.93 113.55 27.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 171.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -167.03 165.97 38.89 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 119.541 -1.314 . . . . 0.0 113.744 -175.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 13.1 t -108.95 146.52 33.7 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.537 ' CZ2' ' HB3' ' A' ' 64' ' ' LEU . 31.6 t-105 -129.04 136.03 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.919 -178.165 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.9 p -132.75 129.21 38.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 111.054 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.529 ' HG2' ' HE2' ' A' ' 22' ' ' PHE . 9.4 tpt -107.31 104.99 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 173.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -104.56 103.68 13.4 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.623 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.38 -66.65 0.75 Allowed Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.195 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -165.81 41.0 0.06 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -141.69 126.39 18.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.781 -178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.537 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 32.9 mt -103.57 104.63 14.71 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.867 -176.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.6 t -135.21 136.24 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.673 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -169.41 -157.31 11.72 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -166.2 120.85 1.16 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.722 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 9.2 m-85 -121.19 147.27 45.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.48 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 35.6 ttmt -104.4 127.27 52.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.319 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.641 ' HE ' ' HB3' ' A' ' 72' ' ' ASP . 20.7 ttt180 -125.98 101.12 6.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.362 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.467 ' C ' ' H ' ' A' ' 73' ' ' ASN . 8.7 p -70.65 -15.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.169 0.509 . . . . 0.0 110.279 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.641 ' HB3' ' HE ' ' A' ' 70' ' ' ARG . 37.2 t70 -70.51 24.23 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.068 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' A' ' 71' ' ' VAL . 45.5 t30 -173.22 -41.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . -162.31 -84.86 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 62.6 pttt -173.7 34.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.599 0.238 . . . . 0.0 111.105 172.172 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.521 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 37.5 mt-10 -162.99 147.09 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.344 0.592 . . . . 0.0 111.223 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.551 HD22 ' HD2' ' A' ' 70' ' ' ARG . 40.7 tp -167.09 104.33 0.55 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 171.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.653 ' HB ' ' HB ' ' A' ' 93' ' ' THR . 48.1 mt -115.39 148.27 18.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.667 -170.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.67 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -121.74 130.79 53.68 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 171.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.8 p -149.86 124.33 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.522 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.515 ' HG3' ' H ' ' A' ' 82' ' ' GLU . 14.0 tpt180 -169.18 166.2 10.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.495 174.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.515 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 8.3 pt-20 -126.31 146.58 49.97 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.957 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.603 ' CD1' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -102.61 128.18 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.901 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 166.474 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 46.9 m -148.06 98.09 2.88 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 118.325 -1.35 . . . . 0.0 112.159 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 51.3 39.94 44.4 Favored Glycine 0 CA--C 1.498 -1.023 0 N-CA-C 108.595 -1.802 . . . . 0.0 108.595 -175.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.516 ' HB2' ' O ' ' A' ' 84' ' ' SER . 4.2 t-20 -166.65 173.68 9.45 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-N 112.469 -1.866 . . . . 0.0 107.699 -159.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 1.035 ' HA ' ' HZ3' ' A' ' 6' ' ' TRP . 0.7 OUTLIER -103.17 167.94 9.5 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 113.319 -1.764 . . . . 0.0 107.385 -178.027 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.603 HD13 ' CD1' ' A' ' 83' ' ' ILE . 12.6 tp -96.19 129.63 43.45 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-O 121.922 0.868 . . . . 0.0 112.155 -165.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.613 HG13 HG23 ' A' ' 102' ' ' ILE . 4.0 mp -101.82 163.56 3.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.442 ' HB3' ' HE2' ' A' ' 103' ' ' PHE . 52.5 tt0 -138.74 118.8 13.42 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 121.368 -0.833 . . . . 0.0 111.313 -175.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 7.4 m -104.99 133.0 50.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.28 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.461 ' HD2' HD11 ' A' ' 77' ' ' LEU . 6.9 m-85 -104.05 108.32 19.62 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 167.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.653 ' HB ' ' HB ' ' A' ' 78' ' ' ILE . 34.3 m -102.44 134.86 45.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.862 -175.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.449 ' OH ' ' HA3' ' A' ' 74' ' ' GLY . 46.1 t80 -147.61 122.3 9.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.695 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 56.38 43.69 25.77 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.588 0.708 . . . . 0.0 110.465 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.54 14.34 69.44 Favored Glycine 0 CA--C 1.521 0.434 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.503 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 93' ' ' THR . 25.4 t -104.19 135.6 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 117.034 0.417 . . . . 0.0 109.931 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.615 ' HG3' HG23 ' A' ' 91' ' ' THR . 7.2 tt0 -104.93 133.87 49.01 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.239 0.543 . . . . 0.0 111.478 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.66 113.78 9.39 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -129.26 148.73 51.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -168.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 89' ' ' ILE . 38.7 tpt85 -122.67 143.06 50.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.56 -1.2 . . . . 0.0 107.952 172.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.613 HG23 HG13 ' A' ' 89' ' ' ILE . 73.7 mt -100.31 126.79 53.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.379 0.609 . . . . 0.0 111.029 -173.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' A' ' 88' ' ' LEU . 55.0 m-85 -123.01 168.48 12.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.824 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.765 ' HA ' ' HB3' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -142.29 165.41 27.51 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.82 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 6' ' ' TRP . 8.8 tmtm? -54.69 132.86 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.631 ' H ' ' HA ' ' A' ' 6' ' ' TRP . 19.8 tt0 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.434 -0.793 . . . . 0.0 110.426 -174.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -79.13 -105.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.905 -0.134 . . . . 0.0 111.224 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 t70 62.39 58.36 1.74 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.78 0.8 . . . . 0.0 109.382 -174.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.6 166.9 38.74 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.782 -173.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -101.2 127.73 47.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.659 0.266 . . . . 0.0 110.812 -178.765 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.536 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 6.4 m0 -132.0 102.18 5.72 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.001 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 29.4 tptt -168.15 171.0 9.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.081 0.467 . . . . 0.0 111.925 -176.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.612 HG23 ' HD1' ' A' ' 103' ' ' PHE . 38.5 t -99.33 146.47 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.288 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.21 140.03 5.02 Favored Glycine 0 C--N 1.335 0.509 0 O-C-N 123.728 0.642 . . . . 0.0 113.925 -174.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.78 -38.77 3.01 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -174.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.877 HD22 ' HA ' ' A' ' 28' ' ' SER . 23.4 mt -104.9 165.59 10.97 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -146.26 143.12 28.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.893 0.377 . . . . 0.0 110.149 174.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.001 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 3.6 tt -139.79 135.17 32.76 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.542 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.8 m -135.03 122.28 21.58 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -110.77 115.05 48.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 m -123.01 144.37 49.31 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.395 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.61 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.7 pm0 -130.34 132.83 46.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.295 0.569 . . . . 0.0 111.274 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' HG3' ' HB2' ' A' ' 21' ' ' LYS . 10.4 pt-20 -104.27 87.07 2.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.85 174.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.56 -103.65 1.56 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -167.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.548 ' HB3' HD13 ' A' ' 39' ' ' LEU . 4.3 m120 -125.82 94.35 4.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 166.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 8.6 mtpm? -169.51 106.17 0.38 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -103.67 128.96 50.92 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.447 -171.217 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 9.5 t -115.45 129.66 56.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.352 175.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.815 HG13 HD21 ' A' ' 13' ' ' LEU . 54.6 t -104.2 124.85 58.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.667 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 40.0 tttm -100.47 110.4 22.58 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 4.5 mm-40 -103.69 136.71 42.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.405 0.622 . . . . 0.0 111.063 -176.311 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 7.5 m -144.81 110.81 5.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.713 177.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.877 ' HA ' HD22 ' A' ' 11' ' ' LEU . 58.5 m -158.72 152.38 23.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 -174.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 68.1 -78.38 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.795 0.684 . . . . 0.0 110.785 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -167.37 47.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.586 ' O ' ' HA ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -144.71 148.83 34.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.064 -167.718 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 12.5 p30 -145.38 115.71 7.55 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.551 174.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -152.67 136.48 8.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.237 -172.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.0 137.61 41.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.253 -176.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.513 HG22 HD22 ' A' ' 47' ' ' LEU . 14.7 t -114.02 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 11.4 p -107.5 137.95 36.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.954 0.407 . . . . 0.0 110.969 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 17.3 p90 -150.27 143.55 25.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.918 -177.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' HB3' HG21 ' A' ' 41' ' ' VAL . 85.5 tt0 -103.65 141.99 35.09 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 20' ' ' ASN . 6.4 mp -59.21 121.71 12.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.283 -173.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 58' ' ' THR . . . 74.62 30.15 60.45 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.898 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 38' ' ' GLU . 81.7 t -119.06 137.94 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.847 0.356 . . . . 0.0 110.381 178.105 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.471 ' HB3' ' HB ' ' A' ' 56' ' ' THR . 9.1 p-10 -104.35 141.08 36.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.394 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 42.2 p90 -163.81 150.39 11.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.108 0.48 . . . . 0.0 111.667 -173.44 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.562 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -104.65 136.22 44.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.581 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -159.54 149.69 18.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.796 0.331 . . . . 0.0 110.749 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 t -102.26 126.23 49.19 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.629 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.578 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 85.2 mt -108.34 129.6 55.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.626 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 51.96 32.14 9.63 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.936 0.773 . . . . 0.0 112.287 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.42 47.13 24.46 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.195 178.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.4 -51.47 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.743 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.61 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 82.1 p -94.61 124.34 38.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 117.169 0.485 . . . . 0.0 110.414 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.649 ' H ' ' HD3' ' A' ' 70' ' ' ARG . 16.6 mt-10 -111.13 91.51 3.69 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.61 ' CD1' ' HB ' ' A' ' 51' ' ' THR . 10.9 mp -103.38 127.05 50.84 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.048 -172.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.562 HG23 ' HB2' ' A' ' 44' ' ' ALA . 7.3 m -107.94 112.3 24.82 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.77 166.37 39.02 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 118.985 -1.579 . . . . 0.0 114.163 -173.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.471 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 15.2 t -110.53 143.78 40.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.189 -0.506 . . . . 0.0 110.113 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 24.0 t-105 -119.82 135.61 54.79 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.412 HG22 ' HA2' ' A' ' 40' ' ' GLY . 45.5 p -134.79 137.21 43.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.918 0.389 . . . . 0.0 110.89 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.0 ttm -104.24 116.49 32.27 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 172.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -103.51 102.83 12.74 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.75 -112.24 4.62 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.267 -173.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -114.43 52.96 0.81 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.523 0.678 . . . . 0.0 109.294 172.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.64 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 10.6 mptt -138.26 138.02 38.04 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.067 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.7 mt -110.83 104.86 13.52 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.769 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.51 140.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.022 -174.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -166.65 -159.63 12.63 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.773 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -165.07 114.75 1.09 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.67 ' H ' HG12 ' A' ' 78' ' ' ILE . 12.5 m-85 -125.11 146.08 49.64 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.144 0.497 . . . . 0.0 110.779 -177.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 34.4 ttmt -110.47 125.45 53.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.626 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.657 ' CZ ' ' HB2' ' A' ' 72' ' ' ASP . 14.5 tpt180 -124.91 105.27 9.1 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.43 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 8.7 p -64.06 -34.34 68.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -173.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.657 ' HB2' ' CZ ' ' A' ' 70' ' ' ARG . 41.7 t0 -56.79 -42.68 79.89 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.739 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -83.83 -54.15 5.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.712 0.292 . . . . 0.0 111.737 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -178.76 39.23 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.574 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 55.0 pttt 47.15 35.63 3.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.5 1.12 . . . . 0.0 112.529 -176.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -159.7 134.75 8.06 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.486 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 4.8 tt -168.42 104.82 0.45 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.67 HG12 ' H ' ' A' ' 68' ' ' PHE . 20.4 mt -119.09 165.63 14.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.371 -173.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -137.04 114.83 11.29 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -133.69 128.59 54.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.213 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.7 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 20.9 tpt180 -165.08 148.82 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.052 0.453 . . . . 0.0 111.897 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.64 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 1.0 OUTLIER -104.47 165.96 10.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.796 174.748 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.6 mm -101.74 120.9 52.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.2 t -110.81 128.56 55.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.55 -123.4 32.63 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -172.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -130.71 95.08 3.76 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 118.984 -1.086 . . . . 0.0 109.247 162.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -171.26 153.25 3.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.283 -1.326 . . . . 0.0 107.77 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.1 tp -117.72 126.36 52.32 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.394 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.7 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.3 mp -104.3 147.73 9.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 170.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 50.6 tt0 -124.16 115.09 20.54 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.783 -174.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.918 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -110.22 132.81 53.84 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.623 -178.312 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.587 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 3.3 m-85 -101.33 118.28 36.65 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 169.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.72 ' CG2' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -100.8 129.5 46.69 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.985 -168.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -165.76 149.54 8.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.276 -172.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.432 ' HA ' ' OE1' ' A' ' 95' ' ' GLU . 4.8 tp10 48.9 48.18 20.73 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.519 ' O ' HG13 ' A' ' 97' ' ' VAL . . . 119.44 -108.61 1.54 Allowed Glycine 0 N--CA 1.43 -1.707 0 CA-C-N 113.834 -1.53 . . . . 0.0 110.646 -166.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.72 HG12 ' CG2' ' A' ' 93' ' ' THR . 2.1 m -171.16 89.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 117.449 -1.262 . . . . 0.0 111.706 176.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 97' ' ' VAL . 6.0 pt-20 -179.47 130.66 0.1 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 162.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.759 ' H ' HG22 ' A' ' 91' ' ' THR . . . -169.81 102.76 0.31 Allowed 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 114.068 -1.424 . . . . 0.0 107.327 164.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.918 ' HB3' HG23 ' A' ' 91' ' ' THR . 12.4 pttt -126.46 139.1 53.5 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -164.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -124.89 144.16 50.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 113.565 -1.652 . . . . 0.0 107.694 171.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.48 HG23 HG13 ' A' ' 89' ' ' ILE . 55.4 mt -101.94 126.25 55.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.285 0.564 . . . . 0.0 111.388 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.612 ' HD1' HG23 ' A' ' 8' ' ' VAL . 53.7 m-85 -120.97 166.52 13.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.465 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -143.62 154.77 43.89 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.423 -175.493 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.546 ' HD3' ' N ' ' A' ' 106' ' ' GLU . 3.4 tmtp? -61.56 126.28 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.018 0.437 . . . . 0.0 110.433 -177.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.546 ' N ' ' HD3' ' A' ' 105' ' ' LYS . 17.2 tp10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.332 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.787 ' HB1' ' H ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 119.214 -0.422 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 1.044 ' HD1' HG23 ' A' ' 15' ' ' ILE . 19.0 m-30 -121.36 130.13 53.45 Favored 'General case' 0 CA--C 1.558 1.277 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -170.332 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 1.036 ' N ' ' H ' ' A' ' 16' ' ' THR . 0.6 OUTLIER 139.03 47.49 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 127.577 2.351 . . . . 0.0 111.767 -169.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.965 ' HA3' ' HB ' ' A' ' 16' ' ' THR . . . -165.56 169.51 40.01 Favored Glycine 0 C--O 1.182 -3.107 0 CA-C-O 118.627 -1.096 . . . . 0.0 110.855 -173.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p -103.45 122.11 44.21 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 117.771 -3.194 . . . . 0.0 114.916 -169.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.637 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -132.42 113.51 13.23 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 164.847 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.012 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 11.2 tptm -168.74 169.84 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 119.398 0.999 . . . . 0.0 112.697 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.418 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 21.7 t -100.26 144.29 12.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.067 178.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.96 126.81 10.48 Favored Glycine 0 C--N 1.332 0.309 0 O-C-N 123.539 0.525 . . . . 0.0 113.465 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.67 -32.29 6.31 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 -175.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.85 HD22 ' HA ' ' A' ' 28' ' ' SER . 17.4 mt -118.44 165.77 13.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' H ' ' HB2' ' A' ' 27' ' ' SER . 14.8 ptpt -133.47 146.91 51.57 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.223 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 1.012 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 2.1 tt -148.96 121.03 8.26 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.951 ' HA ' ' O ' ' A' ' 4' ' ' GLY . 28.8 m -104.91 121.05 42.9 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.453 -175.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 1.044 HG23 ' HD1' ' A' ' 2' ' ' PHE . 29.9 mt -158.58 104.9 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.475 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 1.036 ' H ' ' N ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER -175.34 109.79 0.11 Allowed 'General case' 0 N--CA 1.434 -1.267 0 O-C-N 121.174 -0.954 . . . . 0.0 110.329 169.741 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.904 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 5.7 tp-100 -103.53 158.35 16.42 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 120.685 -1.26 . . . . 0.0 113.969 -172.061 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.617 ' HG3' ' OE1' ' A' ' 17' ' ' GLN . 1.5 pp20? -54.84 -39.3 68.45 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.255 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.593 ' H ' ' HG3' ' A' ' 17' ' ' GLN . . . -171.76 -53.7 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 177.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.533 ' HB3' HD13 ' A' ' 39' ' ' LEU . 6.2 m120 -148.77 94.02 2.21 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 172.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.904 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 34.7 mttm -169.47 129.73 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 174.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.726 ' HA ' ' HB2' ' A' ' 2' ' ' PHE . 13.0 m-30 -121.82 103.66 9.02 Favored 'General case' 0 C--N 1.286 -2.177 0 O-C-N 119.696 -1.877 . . . . 0.0 112.192 -165.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 2.3 m -110.05 113.45 26.17 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.903 -1.044 . . . . 0.0 108.939 167.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.571 ' HA ' ' O ' ' A' ' 14' ' ' THR . 93.4 t -103.79 122.03 56.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.844 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 38.7 tttp -101.93 111.19 23.37 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.522 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.34 143.66 32.68 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.265 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB2' ' H ' ' A' ' 12' ' ' LYS . 22.9 m -155.7 136.34 13.38 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.978 -175.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.85 ' HA ' HD22 ' A' ' 11' ' ' LEU . 49.3 m -158.06 134.8 9.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.52 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 64.71 -71.07 0.08 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.584 0.754 . . . . 0.0 112.412 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -160.68 47.66 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.603 0.716 . . . . 0.0 110.193 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 28' ' ' SER . 7.7 ptm180 -146.0 146.83 31.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.337 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -152.01 125.41 8.8 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 tp -150.83 132.37 5.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.022 -172.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 1.4 m-20 -104.12 124.78 49.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 23' ' ' THR . 5.0 t -104.66 117.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 175.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.32 128.51 60.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.107 0.479 . . . . 0.0 111.143 -177.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.414 ' HE2' ' CD1' ' A' ' 57' ' ' TRP . 11.4 p90 -159.19 151.86 21.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.797 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -107.87 159.61 16.39 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.603 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.0 mp -66.11 128.21 35.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -175.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.17 36.2 28.23 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.839 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 56' ' ' THR . 64.4 t -124.18 132.96 70.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.487 0.184 . . . . 0.0 110.636 178.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -103.46 137.38 41.63 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 174.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -155.39 145.05 21.27 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.958 0.409 . . . . 0.0 111.286 -173.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.628 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -111.88 130.32 55.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -163.12 154.7 17.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.276 -174.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.438 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 29.6 t -101.86 125.72 48.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.21 175.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.5 mt -111.08 129.81 55.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.371 -175.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.5 36.63 26.16 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 124.029 0.831 . . . . 0.0 112.08 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 54.24 48.64 20.39 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.507 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.73 -84.66 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.046 -1.073 . . . . 0.0 112.723 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.536 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 68.0 p -64.26 127.52 31.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.597 0.237 . . . . 0.0 110.838 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 46' ' ' SER . 54.8 mt-10 -115.58 95.28 5.07 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.6 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 11.2 mp -104.33 123.53 47.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.453 -172.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.628 HG23 ' HB2' ' A' ' 44' ' ' ALA . 7.8 m -104.08 106.53 17.07 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 174.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.416 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -159.79 165.3 34.56 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 118.456 -1.83 . . . . 0.0 114.933 -172.16 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 10.9 t -118.98 144.28 46.58 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.508 -0.846 . . . . 0.0 109.64 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.672 ' CZ2' ' HB3' ' A' ' 64' ' ' LEU . 65.9 t-105 -124.26 138.64 54.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.327 -174.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.3 p -142.43 132.01 23.88 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.706 0.289 . . . . 0.0 110.575 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.415 ' HB2' ' HE2' ' A' ' 22' ' ' PHE . 26.0 ttt -105.01 115.44 30.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -104.15 104.56 14.5 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.94 -120.45 16.36 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.309 -0.948 . . . . 0.0 110.733 -170.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -110.76 36.38 3.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.133 0.492 . . . . 0.0 109.993 173.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.591 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -120.55 135.9 54.95 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.849 177.328 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.672 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 40.0 mt -114.53 111.86 22.04 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.303 -176.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.579 HG22 HG13 ' A' ' 80' ' ' VAL . 87.2 t -141.28 134.52 30.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.847 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.34 -148.37 5.37 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.569 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.483 ' HA ' HG12 ' A' ' 78' ' ' ILE . 80.9 tttt -165.51 131.26 2.59 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 57.2 m-85 -131.52 141.89 49.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.883 0.373 . . . . 0.0 110.055 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.739 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 51.2 tttm -104.16 112.17 25.07 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.066 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.47 ' HD3' ' H ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -94.71 68.74 3.38 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.02 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.7 p -63.66 -24.47 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.744 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -49.17 -35.39 16.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.16 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.47 ' H ' ' HD3' ' A' ' 70' ' ' ARG . 42.6 t30 -130.79 -41.11 1.18 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.579 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -131.39 -110.64 1.32 Allowed Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.476 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.919 ' HG2' ' HG3' ' A' ' 76' ' ' GLU . 15.7 ttpp -151.44 -38.31 0.12 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -171.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.919 ' HG3' ' HG2' ' A' ' 75' ' ' LYS . 46.3 mt-10 -150.15 123.39 8.93 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.978 -172.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.551 HD23 HD21 ' A' ' 53' ' ' LEU . 53.6 tp -130.66 113.08 13.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.955 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.505 HG22 HG23 ' A' ' 80' ' ' VAL . 66.1 mt -119.23 132.2 69.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.08 -171.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.597 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -105.21 128.61 53.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.579 HG13 HG22 ' A' ' 65' ' ' VAL . 81.5 t -140.9 122.13 13.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 10.9 tpt180 -167.17 154.8 9.13 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 120.974 0.416 . . . . 0.0 111.912 175.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.591 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 14.3 pt-20 -104.57 158.2 16.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.879 175.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.401 HD11 ' CD1' ' A' ' 64' ' ' LEU . 8.0 mm -102.56 118.31 49.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 20.8 m -103.76 122.54 45.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.41 -120.1 19.47 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -172.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -129.96 96.51 4.22 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.371 163.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 84' ' ' SER . 25.7 pt-20 -168.4 151.42 5.48 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 174.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.9 tp -128.58 127.27 41.98 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.585 -0.846 . . . . 0.0 112.546 -176.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.627 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 56.6 mt -104.56 146.83 11.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 166.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.0 tp-100 -130.75 124.74 32.13 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.679 -175.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.62 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -112.6 124.67 53.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.792 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -103.93 109.33 21.05 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 29.8 m -102.33 106.92 17.78 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . 0.526 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 8.9 t80 -112.26 118.07 34.28 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.253 -176.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 65.14 -60.54 0.24 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.193 0.933 . . . . 0.0 112.065 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.03 33.14 0.16 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.422 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 93' ' ' THR . 7.5 m -141.6 134.16 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 175.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -109.07 130.5 55.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.076 0.465 . . . . 0.0 111.22 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.53 121.21 35.99 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.473 176.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.62 ' HB3' HG23 ' A' ' 91' ' ' THR . 11.0 pttm -113.71 146.38 39.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.264 0.554 . . . . 0.0 111.971 -176.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -140.9 139.25 34.33 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.4 mp -102.88 134.63 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.02 0.438 . . . . 0.0 111.527 -170.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -137.13 161.68 35.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.509 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 156.62 43.28 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LYS . . . . . 0.591 ' HA ' ' HB3' ' A' ' 6' ' ' TRP . 62.7 tttm -70.12 141.93 52.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.707 0.289 . . . . 0.0 110.613 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.274 -0.87 . . . . 0.0 109.933 177.189 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.01 0 N-CA-C 110.267 -1.133 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.439 HG22 ' OG1' ' A' ' 14' ' ' THR . 25.3 p -99.83 126.08 45.88 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.316 0.558 . . . . 0.0 110.304 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.546 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 3.4 m95 -127.49 100.35 5.98 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.845 ' HE3' ' HB2' ' A' ' 13' ' ' LEU . 1.7 tppp? -168.04 168.74 11.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.454 0.645 . . . . 0.0 111.521 -176.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.41 ' H ' ' CD ' ' A' ' 7' ' ' LYS . 96.0 t -100.17 143.03 14.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.18 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.32 134.71 23.94 Favored Glycine 0 C--N 1.333 0.376 0 O-C-N 123.323 0.389 . . . . 0.0 113.415 -174.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.54 -35.56 4.96 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.882 HD22 ' HA ' ' A' ' 28' ' ' SER . 22.8 mt -110.24 168.91 9.09 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 175.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HG2' ' HB2' ' A' ' 27' ' ' SER . 54.8 pttt -142.67 147.95 36.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.845 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 3.3 tt -152.83 137.56 16.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.515 ' N ' HD23 ' A' ' 13' ' ' LEU . 16.0 m -148.6 126.74 12.1 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.038 0.447 . . . . 0.0 110.293 -172.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.0 mp -108.52 148.17 12.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.7 m -155.72 146.89 22.52 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -142.53 125.69 16.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.406 0.622 . . . . 0.0 111.906 -176.174 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HG3' ' HB2' ' A' ' 21' ' ' LYS . 4.9 pt-20 -94.08 87.74 5.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.342 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.95 -107.44 2.29 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -169.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 3.3 m120 -119.91 95.67 4.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 168.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.834 ' HD2' ' HG2' ' A' ' 38' ' ' GLU . 24.6 mmmt -167.7 103.84 0.5 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -104.12 122.17 44.75 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.684 -0.807 . . . . 0.0 111.431 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 15.2 t -113.86 138.99 49.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.304 176.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.565 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 82.3 t -117.53 127.76 74.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.147 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.741 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 83.1 tttt -101.93 107.23 18.32 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 4.8 tp10 -110.83 118.57 36.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.832 0.349 . . . . 0.0 111.753 -174.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.513 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 4.3 m -124.08 115.58 21.4 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 169.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.882 ' HA ' HD22 ' A' ' 11' ' ' LEU . 70.9 m -153.09 142.4 21.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.979 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.8 t30 67.23 -72.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.944 0.778 . . . . 0.0 111.718 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -171.75 47.66 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.006 0.431 . . . . 0.0 110.703 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -166.08 132.82 2.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.876 174.608 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.483 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 11.3 t30 -109.21 125.54 52.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.625 176.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.589 HG12 HD22 ' A' ' 47' ' ' LEU . 7.4 tp -146.26 135.92 17.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.722 -175.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.565 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 2.8 m-20 -104.66 141.1 37.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.098 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.7 t -127.98 117.98 47.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.525 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 13.9 p -104.79 139.75 24.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.777 0.322 . . . . 0.0 110.401 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 28.5 p90 -151.36 145.95 25.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.267 0.556 . . . . 0.0 111.054 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.834 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 26.1 mt-10 -103.76 144.15 31.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.409 ' HG ' ' HB3' ' A' ' 59' ' ' MET . 7.0 mp -63.02 112.27 2.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.116 0.484 . . . . 0.0 111.488 -173.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.525 ' HA2' HG22 ' A' ' 58' ' ' THR . . . 76.57 37.59 34.8 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.758 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.0 t -126.32 145.62 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.709 0.29 . . . . 0.0 110.533 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.6 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.8 p30 -101.78 138.64 38.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.167 -178.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 38.0 p90 -157.97 149.94 21.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.135 -173.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.527 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -113.97 142.0 46.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.799 178.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CE1' ' HG ' ' A' ' 47' ' ' LEU . 45.7 p90 -157.86 149.77 21.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.866 0.365 . . . . 0.0 110.819 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 51' ' ' THR . 29.1 t -105.3 126.2 51.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.576 173.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.589 HD22 HG12 ' A' ' 33' ' ' ILE . 36.8 mt -104.8 124.11 48.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.458 177.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.65 34.52 23.43 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.877 0.736 . . . . 0.0 111.565 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.3 t70 50.38 49.97 19.65 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.335 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.67 -56.0 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.938 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 58.3 p -90.38 114.35 26.44 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 122.219 -0.577 . . . . 0.0 109.742 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -110.42 95.44 5.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.737 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 9.0 mp -103.84 123.96 48.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.367 -173.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.527 HG23 ' HB2' ' A' ' 44' ' ' ALA . 15.9 m -106.0 117.13 33.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 67' ' ' LYS . . . -167.33 165.66 38.76 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 119.179 -1.486 . . . . 0.0 114.065 -177.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 9.9 t -104.31 138.53 40.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.261 176.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.588 ' HE1' HD22 ' A' ' 64' ' ' LEU . 23.5 t-105 -117.82 126.08 51.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.623 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.525 HG22 ' HA2' ' A' ' 40' ' ' GLY . 68.5 p -114.58 135.12 54.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.409 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 24.3 ttt -117.08 124.43 49.22 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.583 0.706 . . . . 0.0 110.951 176.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -101.19 153.82 19.28 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 165.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -36.67 -36.79 0.18 Allowed Glycine 0 N--CA 1.463 0.454 0 O-C-N 123.89 0.744 . . . . 0.0 114.289 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -138.4 36.53 2.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.944 0.402 . . . . 0.0 110.613 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.864 ' HD2' ' HB3' ' A' ' 82' ' ' GLU . 30.5 mmmt -143.81 123.54 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.588 HD22 ' HE1' ' A' ' 57' ' ' TRP . 86.0 mt -113.16 113.01 24.76 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.431 HG22 HG13 ' A' ' 80' ' ' VAL . 59.2 t -139.56 138.03 39.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.249 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.62 -158.02 8.91 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.159 -1.02 . . . . 0.0 112.188 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.47 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 45.0 tttp -165.63 123.49 1.54 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.737 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 42.8 m-85 -132.03 144.42 50.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.213 0.53 . . . . 0.0 111.035 -175.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.665 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 77.8 tttt -110.76 123.64 50.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.309 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 51' ' ' THR . 6.8 ttt180 -118.48 100.41 7.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.5 m -62.03 -33.01 56.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -79.38 40.8 0.44 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -171.38 -62.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.467 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.452 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . -167.08 34.05 0.21 Allowed Glycine 0 CA--C 1.509 -0.333 0 C-N-CA 120.14 -1.028 . . . . 0.0 112.364 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.665 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 23.4 pttp 43.02 21.39 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 174.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.477 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 23.3 mt-10 -164.81 104.3 0.8 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.704 0.684 . . . . 0.0 111.919 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 92' ' ' TYR . 64.0 tp -134.64 119.58 18.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.836 169.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.507 HG22 HG23 ' A' ' 80' ' ' VAL . 71.9 mt -123.52 139.02 51.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.491 -171.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.593 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -110.3 125.9 53.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.507 HG23 HG22 ' A' ' 78' ' ' ILE . 95.2 t -140.53 131.75 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.922 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 16.5 tpt180 -166.08 144.78 5.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.864 ' HB3' ' HD2' ' A' ' 63' ' ' LYS . 3.9 pt-20 -104.63 162.46 13.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.682 172.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.6 mm -102.28 121.83 53.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.648 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -114.03 120.44 40.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.396 0.141 . . . . 0.0 110.813 -179.427 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.43 -130.47 51.04 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -112.6 95.04 5.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.196 167.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.648 ' HG2' ' O ' ' A' ' 84' ' ' SER . 22.4 pt-20 -170.29 165.64 8.87 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.446 175.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.5 tp -139.39 127.53 22.49 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.653 170.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.72 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 30.9 mm -105.22 162.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 172.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.463 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.4 tp-100 -142.81 115.27 8.51 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.199 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.842 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -108.58 124.8 51.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -177.028 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.537 ' HB3' HD11 ' A' ' 77' ' ' LEU . 22.8 m-85 -104.36 110.39 22.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 171.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.4 m -103.04 115.4 30.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.088 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.477 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 41.4 t80 -120.46 124.65 45.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.995 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 66.77 -69.4 0.13 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.013 0.82 . . . . 0.0 111.063 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.93 32.76 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.84 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 15.7 t -129.81 131.01 66.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -104.75 123.52 47.79 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.672 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.51 132.5 54.35 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.842 ' HB3' HG23 ' A' ' 91' ' ' THR . 22.5 pttp -140.77 137.33 33.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.263 0.554 . . . . 0.0 111.864 -173.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -104.85 146.86 28.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.129 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 89' ' ' ILE . 3.0 mp -103.17 129.65 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.912 -173.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -135.38 165.84 24.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -141.21 159.45 42.19 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.081 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -56.9 134.66 55.64 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.383 179.512 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.931 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.528 HG22 ' OG1' ' A' ' 14' ' ' THR . 57.0 p -101.68 128.51 47.95 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.46 ' HA ' ' H ' ' A' ' 106' ' ' GLU . 7.9 m0 -131.38 100.75 5.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.934 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 13.0 tptm -168.49 166.99 11.97 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.626 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -111.63 120.1 61.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.91 -124.35 36.39 Favored Glycine 0 CA--C 1.518 0.227 0 CA-C-N 115.794 -0.639 . . . . 0.0 114.626 168.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.07 -19.74 66.23 Favored Glycine 0 N--CA 1.454 -0.16 0 CA-C-N 115.1 -0.55 . . . . 0.0 114.037 -172.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.839 HD13 ' HE2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -102.6 149.1 24.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 117.064 0.432 . . . . 0.0 110.039 177.754 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -130.66 154.95 47.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.885 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.934 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 1.5 tt -156.16 134.86 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -175.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.575 ' H ' ' HB3' ' A' ' 25' ' ' LYS . 11.3 m -142.72 128.07 18.84 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 23' ' ' THR . 47.0 mt -116.13 104.83 17.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -106.1 148.11 28.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.507 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -148.82 133.81 18.13 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.136 0.493 . . . . 0.0 111.487 179.149 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -108.09 93.04 4.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.219 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.63 -101.0 1.13 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.118 -171.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.414 HD22 ' HA ' ' A' ' 20' ' ' ASN . 3.3 m120 -123.77 94.51 4.26 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.568 0.699 . . . . 0.0 109.251 170.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 24.8 ttmm -171.7 103.2 0.19 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 174.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.429 ' CE1' HD21 ' A' ' 39' ' ' LEU . 6.3 m-85 -104.34 134.42 47.59 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.255 0.55 . . . . 0.0 111.381 -173.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.638 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.2 t -128.43 130.18 47.24 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.576 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.924 ' HB ' HG12 ' A' ' 35' ' ' VAL . 72.2 t -106.95 132.65 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 56.3 tttp -101.46 111.03 23.14 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.81 143.51 32.72 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.1 -177.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.2 m -155.16 132.17 10.83 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.65 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.6 m -160.26 121.94 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.576 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 m120 65.02 -68.79 0.1 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -162.75 56.68 0.21 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.169 0.509 . . . . 0.0 111.565 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.17 144.27 8.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 172.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -132.39 126.54 33.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.138 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.0 tt -153.49 141.54 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.895 0.379 . . . . 0.0 111.795 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.68 141.65 36.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.177 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.924 HG12 ' HB ' ' A' ' 24' ' ' VAL . 8.4 p -108.75 130.3 61.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 p -120.58 134.43 64.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.653 -177.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.67 ' HE2' HG13 ' A' ' 35' ' ' VAL . 17.4 p90 -161.0 142.48 11.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.405 0.622 . . . . 0.0 111.495 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.567 ' HB2' HG21 ' A' ' 41' ' ' VAL . 53.8 mt-10 -104.11 148.15 26.6 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.468 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.634 ' H ' HD22 ' A' ' 39' ' ' LEU . 2.2 mm? -61.61 119.94 9.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -174.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.58 38.15 28.93 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.684 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.567 HG21 ' HB2' ' A' ' 38' ' ' GLU . 97.2 t -124.98 133.76 68.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.861 0.362 . . . . 0.0 110.528 178.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -103.8 130.5 51.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 43.2 p90 -157.16 159.53 37.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.818 0.342 . . . . 0.0 111.38 -172.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -103.86 136.11 44.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.455 175.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -146.33 131.88 18.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.081 0.467 . . . . 0.0 110.825 -174.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.7 t -102.83 123.27 46.17 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.672 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 5.5 mp -108.71 124.09 50.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.379 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.29 33.61 18.68 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.919 0.762 . . . . 0.0 111.569 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 52.34 39.73 27.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.085 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.99 -69.79 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.589 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.672 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 30.7 p -73.27 126.37 29.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.013 0.406 . . . . 0.0 110.121 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -119.08 90.87 3.42 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.462 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 10.8 mp -103.59 124.21 48.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.109 -174.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 4.2 m -112.85 110.57 20.76 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.595 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.34 166.36 38.8 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 118.894 -1.622 . . . . 0.0 114.166 -172.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 9.3 t -105.06 144.23 32.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.193 -0.503 . . . . 0.0 110.336 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.444 ' HE3' ' CE1' ' A' ' 68' ' ' PHE . 42.5 t-105 -125.57 138.12 53.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.372 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.5 p -136.46 131.85 34.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.715 0.293 . . . . 0.0 110.898 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.497 ' H ' HD12 ' A' ' 39' ' ' LEU . 26.8 ttt -115.69 107.0 14.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 173.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -103.66 104.48 14.53 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.65 -121.96 11.55 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.105 -171.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.559 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . 55.0 m-80 -108.44 43.89 1.18 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.202 0.525 . . . . 0.0 109.815 174.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 59' ' ' MET . 4.7 mptp? -126.02 124.36 40.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.589 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 50.0 mt -110.64 105.75 14.76 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.051 -177.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.568 HG22 HG13 ' A' ' 80' ' ' VAL . 26.1 t -141.31 140.88 31.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.374 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.51 -150.13 6.95 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -163.96 124.64 2.19 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.595 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 10.1 m-85 -123.5 141.96 51.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.071 0.462 . . . . 0.0 110.273 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.66 ' HG2' HG13 ' A' ' 71' ' ' VAL . 33.5 ttmt -103.13 107.08 17.75 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.154 -175.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.502 ' NE ' ' HA ' ' A' ' 51' ' ' THR . 13.7 tpt180 -86.09 75.41 9.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.505 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.66 HG13 ' HG2' ' A' ' 69' ' ' LYS . 9.0 m -61.22 -35.33 65.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.419 -175.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.61 -43.59 80.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.743 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.433 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -95.67 -44.46 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.574 -175.282 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.1 -77.3 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.197 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 12.5 pttp -168.29 -26.68 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.501 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 35.1 mt-10 -149.59 117.87 6.43 Favored 'General case' 0 CA--C 1.508 -0.659 0 O-C-N 121.58 -0.7 . . . . 0.0 111.605 -175.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 62.1 tp -128.67 104.62 7.75 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.425 HG22 HG23 ' A' ' 80' ' ' VAL . 14.6 mt -114.29 149.14 16.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.842 -169.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.568 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -124.85 119.48 28.97 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 173.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.568 HG13 HG22 ' A' ' 65' ' ' VAL . 93.4 t -136.06 124.29 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.407 -175.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 12.8 tpt180 -166.01 154.43 10.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.026 0.441 . . . . 0.0 111.67 177.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -109.74 163.09 13.83 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.394 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.559 ' HB ' ' HB3' ' A' ' 62' ' ' ASN . 14.9 mm -101.11 124.98 55.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -114.64 128.08 56.12 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.66 -114.22 5.4 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -175.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.438 HD22 ' H ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -138.36 93.39 2.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.384 1.088 . . . . 0.0 109.928 162.196 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -170.53 141.48 1.93 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 113.846 -1.524 . . . . 0.0 107.975 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.2 tp -112.71 125.09 53.93 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.213 0.53 . . . . 0.0 111.096 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.618 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.2 mp -104.28 147.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 170.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 3.6 tp-100 -130.79 118.4 20.77 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.663 -176.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.661 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -105.11 126.23 51.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.642 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.59 110.97 23.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.553 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.582 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 6.8 m -105.28 104.43 14.16 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.323 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.501 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 19.3 t80 -104.65 115.84 31.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.745 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 65.6 -62.77 0.22 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.009 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.73 35.34 0.25 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.565 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 93' ' ' THR . 18.8 m -141.96 140.01 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -122.61 142.11 51.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.395 0.617 . . . . 0.0 111.56 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.76 129.05 19.92 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.661 ' HB3' HG23 ' A' ' 91' ' ' THR . 58.7 pttt -122.09 140.43 52.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.217 0.532 . . . . 0.0 111.974 -172.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -116.8 140.37 49.51 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.507 HG23 HG13 ' A' ' 89' ' ' ILE . 66.1 mt -102.3 126.19 56.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.077 0.465 . . . . 0.0 111.45 -172.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.5 166.32 17.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.448 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.27 165.32 23.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.413 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.26 127.91 33.53 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.46 ' H ' ' HA ' ' A' ' 6' ' ' TRP . 6.0 tp10 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.769 -0.634 . . . . 0.0 110.101 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.83 0 N-CA-C 111.381 -0.687 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.539 HG22 ' OG1' ' A' ' 14' ' ' THR . 61.2 p -100.95 124.6 46.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.01 0.434 . . . . 0.0 110.055 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.488 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 5.9 m0 -127.18 103.91 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -176.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.848 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 14.3 tptm -166.95 169.65 12.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.286 0.565 . . . . 0.0 112.433 -175.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.42 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 65.8 t -100.24 145.67 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.242 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.86 135.24 15.74 Favored Glycine 0 C--N 1.334 0.437 0 O-C-N 123.582 0.551 . . . . 0.0 113.709 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.37 -36.92 3.88 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -175.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 1.032 HD22 ' HA ' ' A' ' 28' ' ' SER . 12.5 mt -105.6 164.3 12.01 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -140.08 148.88 42.39 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.848 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 3.4 tt -153.97 132.4 12.04 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.539 ' OG1' HG22 ' A' ' 5' ' ' THR . 5.7 m -140.19 126.96 20.53 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -175.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 23' ' ' THR . 59.4 mt -117.81 121.11 66.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -122.7 144.18 49.31 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.12 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.732 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -144.03 137.62 27.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.932 0.396 . . . . 0.0 111.722 179.388 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -85.44 -134.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.29 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.04 94.84 Favored Glycine 0 C--N 1.335 0.498 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 171.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -163.17 96.67 0.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.128 -1.036 . . . . 0.0 108.378 167.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.732 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 25.8 mttp -169.89 105.55 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.482 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -104.22 135.37 45.81 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.465 -175.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 15.0 t -135.2 137.65 42.85 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.506 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 97.8 t -119.48 127.4 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.183 -176.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.693 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 87.5 tttt -102.24 111.44 23.72 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.0 141.43 36.2 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.418 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 38.9 m -158.3 114.2 2.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 176.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 1.032 ' HA ' HD22 ' A' ' 11' ' ' LEU . 39.8 m -151.48 115.07 4.86 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.43 -176.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m120 67.11 -54.46 0.46 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.051 0.94 . . . . 0.0 112.593 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.03 49.36 0.4 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.448 0.642 . . . . 0.0 109.331 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.492 ' O ' ' HA ' ' A' ' 27' ' ' SER . 3.5 mtp180 -140.05 142.51 36.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.611 -172.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -156.32 103.36 2.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.365 -0.834 . . . . 0.0 108.824 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.554 HD11 HD22 ' A' ' 47' ' ' LEU . 4.3 tt -161.14 139.14 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.369 -171.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 2.8 m-20 -109.8 141.63 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.47 HG12 ' HD2' ' A' ' 37' ' ' PHE . 40.5 t -116.11 117.72 56.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 p -111.94 134.66 53.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.628 0.252 . . . . 0.0 110.556 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.47 ' HD2' HG12 ' A' ' 35' ' ' VAL . 19.0 p90 -159.96 145.44 15.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.394 0.616 . . . . 0.0 111.392 -173.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.772 ' H ' ' HZ ' ' A' ' 43' ' ' PHE . 55.3 mt-10 -104.43 144.06 32.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.293 175.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.638 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.3 mp -59.86 125.41 23.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.363 -173.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.09 38.59 54.93 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.982 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.4 t -131.38 148.88 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.44 136.02 43.02 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.772 ' HZ ' ' H ' ' A' ' 38' ' ' GLU . 35.1 m-85 -131.24 149.03 52.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.666 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -139.7 107.68 5.71 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -158.54 168.37 27.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.049 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.509 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 15.0 t -99.95 123.07 43.8 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.709 0.766 . . . . 0.0 110.268 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.554 HD22 HD11 ' A' ' 33' ' ' ILE . 81.2 mt -103.79 137.91 41.13 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.047 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.87 30.47 15.94 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.596 0.56 . . . . 0.0 111.608 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 54.59 44.16 29.1 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.844 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.13 -57.51 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.295 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.507 HG22 ' CZ ' ' A' ' 70' ' ' ARG . 44.6 p -74.33 116.3 14.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.125 0.462 . . . . 0.0 109.858 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HG2' ' HB2' ' A' ' 46' ' ' SER . 90.9 mt-10 -106.26 97.93 7.67 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.745 HD21 HD23 ' A' ' 77' ' ' LEU . 10.7 mp -104.3 129.11 52.17 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.84 -171.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.666 HG23 ' HB2' ' A' ' 44' ' ' ALA . 10.2 m -111.27 111.35 22.35 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 171.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.592 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -167.19 165.23 38.46 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.429 -1.367 . . . . 0.0 113.552 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.8 t -110.28 144.66 38.65 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.512 -0.344 . . . . 0.0 110.484 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.525 ' HZ2' ' HB3' ' A' ' 64' ' ' LEU . 29.8 t-105 -114.02 136.22 53.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.768 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.4 p -138.2 135.49 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.642 0.258 . . . . 0.0 110.514 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.1 ttt -107.43 113.41 26.74 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.546 ' O ' ' HE3' ' A' ' 63' ' ' LYS . 56.0 mm-40 -103.53 104.67 14.76 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.95 -118.5 13.34 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.105 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -107.34 40.32 1.71 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.036 0.446 . . . . 0.0 110.315 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.614 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -120.85 131.22 54.29 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.892 176.205 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.525 ' HB3' ' HZ2' ' A' ' 57' ' ' TRP . 71.1 mt -110.72 111.92 23.44 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.902 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.451 ' HA ' HG12 ' A' ' 80' ' ' VAL . 77.2 t -132.81 123.19 48.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.79 -174.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.512 ' HA3' ' CE3' ' A' ' 57' ' ' TRP . . . -142.04 122.0 1.92 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 177.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HA ' HG12 ' A' ' 78' ' ' ILE . 86.7 tttt -105.92 104.73 14.5 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.618 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 7.1 m-85 -114.9 148.5 38.56 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.572 -175.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 9.5 ttpp -103.73 114.69 29.14 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.456 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.678 ' HD2' ' H ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -85.72 71.21 10.72 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 174.773 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 p -54.48 -24.79 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.52 -173.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.552 ' HB3' ' HD3' ' A' ' 70' ' ' ARG . 16.3 t70 -57.43 -31.18 65.63 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.791 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -171.06 -39.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.678 ' H ' ' HD2' ' A' ' 70' ' ' ARG . . . -83.59 -23.27 54.12 Favored Glycine 0 CA--C 1.507 -0.409 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.966 -169.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HG3' ' HG3' ' A' ' 76' ' ' GLU . 17.5 tppt? 73.84 -43.59 0.55 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.446 0.698 . . . . 0.0 112.081 -177.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.517 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 51.9 mt-10 -150.87 109.25 3.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.082 -0.386 . . . . 0.0 110.9 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.745 HD23 HD21 ' A' ' 53' ' ' LEU . 58.5 tp -116.32 104.87 11.92 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.491 173.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.481 HG22 HG13 ' A' ' 80' ' ' VAL . 68.8 mt -108.57 124.23 64.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.454 -174.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HB3' ' HZ3' ' A' ' 57' ' ' TRP . . . -104.06 124.82 49.74 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.481 HG13 HG22 ' A' ' 78' ' ' ILE . 2.2 m -145.06 130.64 13.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.405 -172.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.745 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 22.7 tpt180 -166.65 151.94 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 172.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.614 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 21.7 pt-20 -103.68 163.47 12.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.169 172.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.2 mm -102.05 125.21 56.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.646 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 13.0 m -103.44 108.73 20.09 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.95 -119.85 18.8 Favored Glycine 0 C--N 1.333 0.401 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -171.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -123.15 95.97 4.82 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.247 165.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' ' 84' ' ' SER . 16.6 pt-20 -170.21 148.92 3.38 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.6 tp -122.38 123.56 41.65 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 119.564 -0.855 . . . . 0.0 111.675 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.745 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 3.7 mp -104.67 155.92 6.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 167.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 3.8 tp-100 -135.19 115.72 13.68 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 118.823 0.738 . . . . 0.0 110.56 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.558 HG23 ' HB3' ' A' ' 100' ' ' LYS . 1.3 m -106.17 127.89 53.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.551 ' HD2' HD11 ' A' ' 77' ' ' LEU . 7.4 m-85 -104.0 114.61 28.98 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.175 170.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 25.6 m -99.26 103.47 15.32 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 174.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.517 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -111.5 122.35 47.61 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.682 -171.182 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 67.91 -62.83 0.34 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.978 0.799 . . . . 0.0 111.049 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.16 25.98 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.278 -0.487 . . . . 0.0 112.065 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 93' ' ' THR . 15.6 m -133.01 139.57 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.67 0.272 . . . . 0.0 110.608 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.2 134.14 49.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.164 0.506 . . . . 0.0 111.348 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.15 129.67 32.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.558 ' HB3' HG23 ' A' ' 91' ' ' THR . 53.4 pttt -132.8 142.1 48.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.387 0.613 . . . . 0.0 112.173 -172.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -120.0 143.11 48.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.804 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.537 HG13 HG13 ' A' ' 89' ' ' ILE . 13.9 tt -101.98 134.2 43.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.537 0.684 . . . . 0.0 111.869 -173.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.437 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . 19.0 m-85 -135.18 166.76 22.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.776 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 157.55 44.75 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.695 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -67.73 117.16 9.28 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.62 -177.583 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.254 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.627 HG22 ' OG1' ' A' ' 14' ' ' THR . 82.7 p -100.96 123.43 45.14 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.1 m0 -128.46 104.09 7.5 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 -179.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.922 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 10.1 tptm -166.64 169.49 13.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.149 0.499 . . . . 0.0 111.441 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -99.83 146.5 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.182 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.31 132.49 3.44 Favored Glycine 0 C--N 1.336 0.559 0 O-C-N 123.781 0.676 . . . . 0.0 114.186 -172.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.79 -34.71 5.14 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.849 HD22 ' HA ' ' A' ' 28' ' ' SER . 25.2 mt -104.9 165.69 10.9 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -143.77 148.9 36.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.606 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.922 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 1.2 tt -154.91 123.26 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.627 ' OG1' HG22 ' A' ' 5' ' ' THR . 8.7 m -142.3 135.93 29.23 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.45 -177.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.544 HG12 ' HA ' ' A' ' 24' ' ' VAL . 36.4 mt -129.47 127.86 65.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 175.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.0 m -113.34 132.06 55.73 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 173.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.8 pm0 -130.96 147.73 52.63 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.672 -170.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -135.51 95.53 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.057 0.456 . . . . 0.0 110.363 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.14 -68.89 1.67 Allowed Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.45 -174.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.488 ' HB2' HD23 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -162.11 97.52 1.03 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.929 0.871 . . . . 0.0 109.24 168.533 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 29.6 ttpt -169.55 104.82 0.35 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD1' HD21 ' A' ' 39' ' ' LEU . 3.9 m-85 -107.47 136.07 47.87 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.511 -172.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 14.8 t -129.43 129.15 44.3 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 173.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.663 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 57.7 t -103.89 126.88 58.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 -171.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.724 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 52.0 tttp -101.8 102.97 13.66 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 172.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -112.99 137.06 51.96 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.336 0.589 . . . . 0.0 111.055 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 15.5 m -151.77 117.92 5.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.965 178.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.849 ' HA ' HD22 ' A' ' 11' ' ' LEU . 70.9 m -153.68 144.38 22.57 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.6 m120 65.21 -77.46 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.96 0.788 . . . . 0.0 110.933 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -171.71 58.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.125 0.488 . . . . 0.0 111.039 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -157.47 138.35 13.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.777 173.328 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -118.41 134.11 55.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.554 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.3 tp -159.71 146.66 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.642 0.258 . . . . 0.0 111.06 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.663 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 24.5 p-10 -120.41 141.08 50.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 110.776 177.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.1 t -128.68 112.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.097 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 9.9 p -103.6 134.32 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.884 0.373 . . . . 0.0 110.5 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 12.0 p90 -153.99 150.17 27.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.865 -174.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.555 ' HB3' HG21 ' A' ' 41' ' ' VAL . 67.9 tt0 -103.24 141.43 35.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.488 HD23 ' HB2' ' A' ' 20' ' ' ASN . 3.9 mm? -62.55 126.56 27.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.198 0.523 . . . . 0.0 111.429 -173.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.89 30.28 61.72 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.596 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 38' ' ' GLU . 88.9 t -119.26 139.0 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 122.621 -0.341 . . . . 0.0 110.528 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -102.77 137.96 40.29 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 45.8 p90 -161.78 153.28 18.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.846 0.355 . . . . 0.0 111.019 -173.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.42 129.67 50.58 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -140.42 136.62 33.25 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.086 -173.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 51' ' ' THR . 29.1 t -103.99 130.0 51.62 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.175 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.666 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 88.3 mt -117.0 135.1 53.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.623 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.73 29.93 14.71 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.43 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 50.93 40.43 25.14 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.265 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.88 -55.88 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.285 -0.96 . . . . 0.0 113.219 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.666 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 12.2 p -76.81 132.6 39.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.378 0.589 . . . . 0.0 109.759 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -124.05 97.54 5.39 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.559 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 9.3 mp -104.01 128.95 51.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.531 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 m -118.71 111.14 18.12 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.95 165.31 38.45 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 119.023 -1.56 . . . . 0.0 114.086 -174.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 t -104.67 143.64 32.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.278 -0.461 . . . . 0.0 109.832 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.484 ' CZ2' ' HB3' ' A' ' 64' ' ' LEU . 67.9 t-105 -123.55 137.87 54.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.757 -0.201 . . . . 0.0 110.933 -177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.5 p -137.32 148.2 46.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 110.85 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.607 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.9 ttt -133.7 113.0 11.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 174.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -103.53 104.77 14.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.161 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.04 -79.52 0.1 Allowed Glycine 0 C--N 1.331 0.277 0 O-C-N 123.437 0.46 . . . . 0.0 112.608 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.494 ' HB2' ' HB ' ' A' ' 83' ' ' ILE . 10.9 p30 -144.5 41.12 1.34 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.51 0.671 . . . . 0.0 109.415 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.607 ' O ' ' HA ' ' A' ' 59' ' ' MET . 27.0 mmtp -124.93 117.12 23.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.953 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.484 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 75.3 mt -103.81 105.61 15.88 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.287 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.421 HG22 HG13 ' A' ' 80' ' ' VAL . 24.9 t -142.78 142.05 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.528 -172.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.02 -147.8 5.66 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HA ' HG12 ' A' ' 78' ' ' ILE . 34.8 ttmt -166.05 117.7 1.05 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.464 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 9.3 m-85 -120.61 140.2 51.88 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.113 0.482 . . . . 0.0 110.575 -177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.744 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 53.3 tttm -104.59 113.21 26.63 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.217 -175.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.562 ' HG3' ' HB3' ' A' ' 73' ' ' ASN . 13.4 tpt180 -95.91 74.72 3.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.648 -178.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.97 -38.9 83.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.933 -172.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -80.31 36.56 0.36 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.898 0.38 . . . . 0.0 111.709 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.562 ' HB3' ' HG3' ' A' ' 70' ' ' ARG . 54.4 t30 -166.16 -43.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.922 0.391 . . . . 0.0 110.345 176.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.03 -90.62 0.08 OUTLIER Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.635 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.744 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 61.1 pttt -170.62 -28.12 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 176.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 94' ' ' TYR . 40.6 mt-10 -145.53 115.19 7.26 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.704 -172.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 94' ' ' TYR . 64.5 tp -132.28 105.07 7.09 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.047 173.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.446 HG12 ' HA ' ' A' ' 67' ' ' LYS . 51.5 mt -114.79 139.31 41.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.137 -171.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.544 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -107.23 127.77 53.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.421 HG13 HG22 ' A' ' 65' ' ' VAL . 89.8 t -140.74 128.18 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.737 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 22.0 tpt180 -166.38 147.38 6.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.037 0.446 . . . . 0.0 112.107 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.446 ' CB ' ' HD3' ' A' ' 63' ' ' LYS . 5.9 pm0 -104.59 150.15 24.9 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.354 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.494 ' HB ' ' HB2' ' A' ' 62' ' ' ASN . 4.7 mp -103.37 116.1 46.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.478 ' O ' ' HG3' ' A' ' 87' ' ' GLU . 8.0 m -104.69 126.75 52.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.153 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.98 -120.42 21.59 Favored Glycine 0 C--N 1.334 0.442 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -129.38 97.84 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.057 0.932 . . . . 0.0 110.304 166.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 84' ' ' SER . 2.2 pp20? -170.57 166.57 8.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.632 175.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 17.0 tp -147.07 123.21 10.82 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.807 179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.737 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 54.0 mt -103.38 159.67 4.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 168.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -136.53 121.47 18.8 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 121.757 -0.589 . . . . 0.0 110.723 -175.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.833 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -110.1 125.97 53.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.78 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -104.72 113.3 26.79 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 170.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 98' ' ' GLU . 10.7 m -103.32 103.56 13.58 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.643 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.537 ' HB2' HD13 ' A' ' 77' ' ' LEU . 23.3 t80 -108.4 122.88 47.92 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.226 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 53.15 48.0 23.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.951 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.87 -11.47 53.51 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.802 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.1 t -102.82 119.02 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 117.538 0.669 . . . . 0.0 110.509 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 93' ' ' THR . 15.5 pt-20 -104.96 134.54 47.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.347 0.594 . . . . 0.0 111.383 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.24 136.06 46.72 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.833 ' HB3' HG23 ' A' ' 91' ' ' THR . 21.9 pttm -136.63 142.81 43.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.51 0.672 . . . . 0.0 112.519 -173.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -121.02 149.58 42.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.391 175.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.47 HG12 HG12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.96 134.32 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.42 0.628 . . . . 0.0 111.39 -172.454 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -131.06 166.4 21.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.791 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.98 165.3 30.26 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.714 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -58.2 127.92 34.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.194 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.134 179.655 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.911 0 N-CA-C 111.734 -0.546 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 39.0 p -101.14 123.54 45.45 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.421 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 13.3 m0 -116.22 103.52 10.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.708 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.673 ' HE2' ' HB2' ' A' ' 11' ' ' LEU . 6.6 mmmt -166.08 170.32 13.61 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.989 0.9 . . . . 0.0 113.219 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.647 HG22 ' HE3' ' A' ' 104' ' ' LYS . 49.4 t -99.27 143.03 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 113.563 -1.653 . . . . 0.0 108.023 172.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.87 126.06 6.75 Favored Glycine 0 C--N 1.331 0.295 0 O-C-N 123.682 0.614 . . . . 0.0 113.207 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.69 -49.84 0.9 Allowed Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 121.154 -0.546 . . . . 0.0 111.759 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.673 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -108.72 165.02 11.87 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.165 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -133.04 136.06 45.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.351 0.596 . . . . 0.0 110.864 175.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.711 HD21 HG13 ' A' ' 24' ' ' VAL . 4.5 tt -132.84 131.69 41.3 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.532 ' N ' HD23 ' A' ' 13' ' ' LEU . 6.5 m -135.82 125.84 26.03 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.983 0.42 . . . . 0.0 110.855 -174.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.532 HG12 ' HA ' ' A' ' 24' ' ' VAL . 65.5 mt -126.04 119.32 54.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 m -131.32 129.49 41.51 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.6 pm0 -112.58 134.89 53.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.309 0.576 . . . . 0.0 110.954 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -107.67 90.56 3.34 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.007 175.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.97 -106.59 2.31 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -168.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -124.32 98.55 5.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 37.7 tttm -169.8 105.21 0.34 Allowed 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -104.86 148.01 27.12 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.357 0.599 . . . . 0.0 111.392 -171.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.6 t -155.77 130.4 9.07 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.367 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.711 HG13 HD21 ' A' ' 13' ' ' LEU . 95.7 t -104.71 122.3 57.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.877 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.705 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 79.3 tttt -101.98 103.7 14.34 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -104.49 132.99 50.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.969 0.414 . . . . 0.0 110.356 -176.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 5.8 m -139.66 138.79 36.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.416 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.557 ' HA ' HD22 ' A' ' 11' ' ' LEU . 65.9 m -160.07 131.35 5.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.428 0.156 . . . . 0.0 110.959 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 m120 68.4 -64.42 0.3 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.974 0.796 . . . . 0.0 112.707 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -170.7 56.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.298 0.571 . . . . 0.0 110.135 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 28' ' ' SER . 24.3 ptt85 -166.03 165.09 18.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.203 -177.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.95 138.56 14.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.62 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.783 HD11 ' HB3' ' A' ' 47' ' ' LEU . 10.9 tt -155.13 133.35 2.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.564 -174.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.547 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 29.8 p-10 -106.09 137.85 43.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.475 0.655 . . . . 0.0 111.775 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 23' ' ' THR . 40.9 t -107.1 113.61 43.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.212 -0.904 . . . . 0.0 108.607 173.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.9 p -103.91 133.78 46.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.602 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.672 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -164.58 132.51 3.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.332 0.587 . . . . 0.0 111.203 -176.097 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -104.7 137.84 41.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.945 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.676 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.9 mp -49.98 120.8 4.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.206 -171.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.11 36.28 90.15 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.688 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.9 t -130.3 145.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.452 ' HB3' ' HB ' ' A' ' 56' ' ' THR . 32.3 p-10 -100.4 143.99 29.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.076 0.465 . . . . 0.0 109.801 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 54' ' ' THR . 22.1 p90 -148.77 149.04 30.7 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.875 -169.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.74 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -136.95 122.95 20.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.437 -178.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -166.36 163.81 17.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.484 ' HB3' ' HG2' ' A' ' 52' ' ' GLU . 75.2 p -103.96 127.37 51.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.056 177.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.783 ' HB3' HD11 ' A' ' 33' ' ' ILE . 53.9 mt -103.62 126.51 50.81 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.412 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 53.28 31.87 12.54 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.025 0.828 . . . . 0.0 111.61 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 49.15 44.12 22.89 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.785 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.44 -57.04 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.379 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.533 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 58.4 p -95.69 123.48 39.27 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.557 -0.378 . . . . 0.0 110.098 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' A' ' 46' ' ' SER . 46.1 mt-10 -118.89 90.73 3.39 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.758 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 9.5 mp -103.24 120.36 40.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.203 0.525 . . . . 0.0 111.189 -173.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.74 HG23 ' HB2' ' A' ' 44' ' ' ALA . 10.6 m -104.17 111.58 24.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.342 172.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.557 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -165.98 166.74 38.84 Favored Glycine 0 N--CA 1.437 -1.296 0 C-N-CA 118.664 -1.731 . . . . 0.0 114.076 -172.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.452 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -136.75 136.85 39.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.03 -0.585 . . . . 0.0 109.547 177.578 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.74 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -128.45 157.75 40.25 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.525 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.1 p -120.68 141.49 50.36 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.155 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.654 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.4 ttt -111.03 118.17 35.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.354 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -139.72 123.45 17.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.647 178.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.28 44.51 94.99 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.942 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.7 m120 64.63 44.6 3.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.26 0.552 . . . . 0.0 110.734 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.654 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.7 OUTLIER -132.49 131.85 42.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.527 175.055 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.534 HD22 ' HE1' ' A' ' 57' ' ' TRP . 37.5 mt -114.7 103.23 10.78 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.414 -177.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.688 HG22 HG13 ' A' ' 80' ' ' VAL . 44.9 t -145.55 120.86 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.65 0.262 . . . . 0.0 111.283 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.74 ' HA3' ' HA ' ' A' ' 57' ' ' TRP . . . -143.05 -136.55 3.19 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.734 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.537 ' C ' ' HD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -160.75 116.49 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.512 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.77 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -123.89 142.6 50.99 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -174.103 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.758 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 3.6 ttmp? -106.8 125.44 51.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.942 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.665 ' HD2' ' HB3' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -116.95 80.29 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.081 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.12 -33.5 62.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.432 ' HB3' ' HE ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -57.5 -38.02 73.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.665 ' HB3' ' HD2' ' A' ' 70' ' ' ARG . 48.7 t30 -106.6 -37.05 6.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.038 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -154.32 -105.85 0.26 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.15 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.599 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 26.9 ttpp -152.85 -30.61 0.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.492 -176.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.456 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 46.5 mt-10 -144.41 120.58 10.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.947 0.403 . . . . 0.0 111.532 -175.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.77 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 64.0 tp -135.39 103.99 5.69 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.8 mt -103.25 142.71 16.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.449 -166.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -102.25 117.15 34.15 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.688 HG13 HG22 ' A' ' 65' ' ' VAL . 96.1 t -136.91 125.94 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.26 -177.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.731 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 17.0 tpt180 -166.36 150.66 7.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.091 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.643 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 16.9 pt-20 -119.12 149.86 41.0 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.529 HG13 HD13 ' A' ' 88' ' ' LEU . 4.7 mp -102.43 124.71 56.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -176.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -118.47 130.91 56.21 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.7 -127.04 43.6 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -175.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.02 95.23 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.481 168.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 83' ' ' ILE . 26.9 pt-20 -171.62 166.39 6.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 175.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.529 HD13 HG13 ' A' ' 83' ' ' ILE . 54.9 tp -152.14 128.49 10.6 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.799 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.731 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 17.0 mm -102.96 164.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 170.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -141.03 107.92 5.41 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.95 -0.469 . . . . 0.0 110.072 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.845 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -104.76 128.13 52.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.541 -175.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.745 ' HB3' HD11 ' A' ' 77' ' ' LEU . 22.9 m-85 -103.85 111.76 24.43 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.459 170.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 98' ' ' GLU . 10.3 m -102.99 106.34 16.84 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.996 0.427 . . . . 0.0 110.017 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.716 ' HB2' HD13 ' A' ' 77' ' ' LEU . 32.0 t80 -103.59 124.55 49.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.208 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 64.32 -72.06 0.06 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 124.07 0.856 . . . . 0.0 111.542 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.68 24.59 0.26 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.0 m -133.08 141.69 44.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.618 ' HB2' HG22 ' A' ' 91' ' ' THR . 11.3 pt-20 -118.91 126.04 50.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.512 0.672 . . . . 0.0 111.877 -175.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.29 133.63 52.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 173.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.845 ' HB3' HG23 ' A' ' 91' ' ' THR . 13.1 ptpt -128.22 139.41 52.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.746 0.784 . . . . 0.0 112.695 -172.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HG2' ' CZ ' ' A' ' 103' ' ' PHE . 8.2 tpt180 -105.46 139.32 40.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.458 175.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.421 HG23 ' CD1' ' A' ' 89' ' ' ILE . 68.2 mt -103.54 133.67 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.884 0.373 . . . . 0.0 111.575 -173.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.451 ' CD1' ' HD3' ' A' ' 7' ' ' LYS . 68.1 m-85 -139.04 161.78 36.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.39 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.647 ' HE3' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -153.06 153.08 32.13 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.541 ' HD3' ' N ' ' A' ' 106' ' ' GLU . 7.6 tmtt? -60.69 127.17 30.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.617 0.246 . . . . 0.0 110.693 -177.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.541 ' N ' ' HD3' ' A' ' 105' ' ' LYS . 30.7 tt0 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.595 -0.716 . . . . 0.0 110.052 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.967 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.445 HG22 ' OG1' ' A' ' 14' ' ' THR . 13.0 p -100.86 128.39 46.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.146 0.498 . . . . 0.0 110.607 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.423 ' HD1' ' C ' ' A' ' 5' ' ' THR . 12.2 m0 -127.63 103.82 7.53 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.094 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 22.0 tptt -166.19 166.88 16.65 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.77 HG22 ' HE3' ' A' ' 104' ' ' LYS . 35.9 t -103.52 142.25 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 113.644 -1.617 . . . . 0.0 108.409 170.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.1 141.45 20.53 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 121.667 -0.301 . . . . 0.0 113.679 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.18 -33.9 5.21 Favored Glycine 0 C--N 1.331 0.29 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.9 HD12 ' HE3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -138.4 164.78 28.47 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 176.406 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.567 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 20.5 ptmt -140.05 150.99 45.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 118.594 0.634 . . . . 0.0 111.255 -177.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.094 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 1.4 tt -142.89 133.26 24.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.748 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.445 ' OG1' HG22 ' A' ' 5' ' ' THR . 8.8 m -136.14 130.11 32.79 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.79 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -124.48 125.69 70.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.0 m -135.92 146.97 47.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 2.8 pp0? -130.23 165.09 23.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.211 0.529 . . . . 0.0 111.453 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -147.15 78.3 1.48 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.994 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.69 -103.38 2.83 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -167.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.42 ' HB3' HD13 ' A' ' 39' ' ' LEU . 79.1 m-20 -131.78 96.32 3.92 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 164.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 1.9 ttmp? -169.4 106.53 0.39 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.548 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 7.8 m-85 -108.04 130.69 55.06 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.067 -172.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -113.48 139.89 48.57 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 173.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.602 HG13 HD21 ' A' ' 13' ' ' LEU . 56.8 t -121.4 127.74 75.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.01 -173.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.841 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 17.3 tttm -103.06 104.38 14.55 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 178.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.44 166.68 10.28 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 174.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.982 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 71.1 m -156.58 114.08 3.2 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.067 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 18.9 m -148.25 103.58 3.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.594 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER 163.56 -72.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 105.515 -2.031 . . . . 0.0 105.515 -177.346 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.413 ' C ' ' HD2' ' A' ' 31' ' ' ARG . 60.9 m-85 -125.92 -57.98 1.41 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 103.876 -2.638 . . . . 0.0 103.876 157.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.982 ' HA ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -170.41 99.92 0.26 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 113.072 -1.876 . . . . 0.0 109.697 166.769 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.629 ' O ' HG12 ' A' ' 33' ' ' ILE . 53.1 t30 -170.84 108.66 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 32' ' ' ASN . 2.3 mm -168.81 145.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.735 171.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.79 136.22 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.533 0.683 . . . . 0.0 111.285 172.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.482 HG12 ' HD2' ' A' ' 37' ' ' PHE . 58.8 t -127.79 116.63 43.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.183 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.7 p -112.1 132.9 59.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.678 0.275 . . . . 0.0 110.409 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 22' ' ' PHE . 27.7 p90 -153.52 145.5 23.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.546 0.689 . . . . 0.0 111.787 -175.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.553 ' HB2' HG21 ' A' ' 41' ' ' VAL . 46.2 mt-10 -104.47 145.2 30.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.675 174.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' A' ' 20' ' ' ASN . 10.3 mp -62.75 121.74 14.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.938 0.399 . . . . 0.0 110.809 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.99 39.54 45.86 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.682 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.553 HG21 ' HB2' ' A' ' 38' ' ' GLU . 55.3 t -130.96 138.66 53.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -101.54 137.29 40.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.697 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 32.3 p90 -155.36 165.21 37.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.232 -174.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.711 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -146.99 130.99 17.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.276 -177.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -165.63 168.81 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.774 175.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -99.86 126.36 45.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.515 0.674 . . . . 0.0 110.08 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.8 mt -104.39 138.75 40.34 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.164 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 33' ' ' ILE . . . 68.97 -68.22 0.19 Allowed 'General case' 0 C--O 1.234 0.264 0 O-C-N 124.452 1.095 . . . . 0.0 111.343 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 t70 176.26 20.77 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.122 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 -70.67 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 119.166 -1.493 . . . . 0.0 114.293 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.689 ' HA ' ' CZ ' ' A' ' 70' ' ' ARG . 80.7 p -58.55 122.06 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.169 0.484 . . . . 0.0 111.831 -172.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -114.38 91.01 3.48 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.716 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 11.2 mp -100.88 123.44 45.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.353 0.597 . . . . 0.0 111.41 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.711 HG23 ' HB2' ' A' ' 44' ' ' ALA . 8.2 m -104.59 111.31 23.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.145 175.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.02 165.43 38.11 Favored Glycine 0 N--CA 1.439 -1.14 0 C-N-CA 119.092 -1.528 . . . . 0.0 113.84 -175.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 8.2 t -103.42 146.37 28.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.291 -0.455 . . . . 0.0 110.046 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.593 ' HZ2' ' HB3' ' A' ' 64' ' ' LEU . 35.2 t-105 -124.42 137.09 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.461 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.6 p -131.9 143.45 50.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.326 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.478 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 26.4 ttt -128.07 107.53 9.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.037 0.446 . . . . 0.0 110.267 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -104.45 104.62 14.51 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.547 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.58 -83.48 0.28 Allowed Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 112.681 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.484 ' HB2' ' HB ' ' A' ' 83' ' ' ILE . 17.2 p30 -145.87 39.93 1.15 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.714 0.768 . . . . 0.0 109.121 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 59' ' ' MET . 12.6 mptt -125.82 126.21 44.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.372 178.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.593 ' HB3' ' HZ2' ' A' ' 57' ' ' TRP . 63.7 mt -107.16 109.58 21.44 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.744 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.575 ' HA ' HG22 ' A' ' 80' ' ' VAL . 65.9 t -135.44 140.67 44.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.664 -174.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.5 -160.19 10.93 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.598 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -165.07 113.19 1.02 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.687 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 5.1 m-85 -119.87 149.81 41.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.935 0.398 . . . . 0.0 111.096 -174.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.716 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 36.3 ttmt -103.67 127.05 51.17 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.941 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.728 ' HG3' ' HB3' ' A' ' 73' ' ' ASN . 22.7 tpt180 -123.0 85.13 2.37 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.107 -177.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.86 -38.71 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.268 -170.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.684 ' HB3' ' NH1' ' A' ' 70' ' ' ARG . 27.2 t70 -80.83 45.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.431 0.634 . . . . 0.0 110.979 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.728 ' HB3' ' HG3' ' A' ' 70' ' ' ARG . 42.1 t30 -166.36 -51.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.886 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.626 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . 176.56 38.29 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.812 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.476 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 65.6 pttt 43.96 32.06 0.58 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.696 1.198 . . . . 0.0 113.455 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 17.3 mt-10 -165.31 142.85 5.92 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.019 0.437 . . . . 0.0 111.713 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 40.9 tp -168.58 108.99 0.51 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.49 171.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.498 HG22 HG23 ' A' ' 80' ' ' VAL . 70.9 mt -109.69 129.07 65.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -171.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.604 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -108.02 122.48 46.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 173.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 65' ' ' VAL . 54.9 t -144.9 131.25 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -177.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.674 ' HG2' ' HB ' ' A' ' 89' ' ' ILE . 14.6 tpt180 -166.02 150.09 7.91 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 121.006 0.431 . . . . 0.0 112.033 176.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -105.08 158.42 16.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.78 176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' A' ' 62' ' ' ASN . 3.1 mp -103.16 119.98 52.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 25.3 t -107.79 122.76 47.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.956 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.57 -121.13 25.1 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -173.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.85 95.93 4.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.66 0.743 . . . . 0.0 109.205 165.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 84' ' ' SER . 12.0 pt-20 -170.5 150.09 3.39 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.437 -1.256 . . . . 0.0 107.649 174.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 tp -124.35 133.99 53.28 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.368 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.674 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 15.6 mm -113.29 156.53 14.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 171.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 7.9 tt0 -140.77 111.53 6.97 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.616 -0.433 . . . . 0.0 109.999 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.604 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -106.63 131.73 53.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.474 -176.158 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -103.23 106.91 17.53 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.9 m -104.43 136.64 43.62 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.594 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.626 ' OH ' ' HA3' ' A' ' 74' ' ' GLY . 52.8 t80 -161.33 135.77 7.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 65.79 -69.48 0.11 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.934 0.771 . . . . 0.0 112.293 174.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.29 28.62 0.11 Allowed Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.0 m -139.92 147.92 23.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.768 0.318 . . . . 0.0 110.419 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 17.9 pt-20 -126.22 126.89 44.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.482 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.47 114.8 24.73 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.574 ' HB3' HG23 ' A' ' 91' ' ' THR . 17.8 pttm -120.08 136.7 54.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.607 0.718 . . . . 0.0 111.762 -178.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.661 ' HE ' ' HZ ' ' A' ' 103' ' ' PHE . 38.2 ttp180 -106.76 138.21 43.36 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.466 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.486 HG13 HD12 ' A' ' 89' ' ' ILE . 3.3 mp -102.03 132.05 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.897 0.38 . . . . 0.0 111.5 -169.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.661 ' HZ ' ' HE ' ' A' ' 101' ' ' ARG . 5.5 m-85 -136.38 165.65 25.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.564 178.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.77 ' HE3' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.75 153.09 42.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 178.176 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -58.09 133.88 55.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.648 0.261 . . . . 0.0 110.873 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--O 1.246 0.877 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 173.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.024 ' HA3' HG23 ' A' ' 14' ' ' THR . . . . . . . . 0 N--CA 1.418 -2.55 0 CA-C-O 117.077 -1.957 . . . . 0.0 114.754 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.78 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -176.03 102.26 0.07 Allowed 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 122.103 -0.646 . . . . 0.0 111.248 155.261 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.587 ' CE2' ' HD3' ' A' ' 105' ' ' LYS . 12.2 m95 -140.22 98.45 3.44 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 173.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.87 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 27.2 tptt -168.82 166.66 11.4 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.864 -0.735 . . . . 0.0 112.483 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.412 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 28.7 t -103.86 137.77 31.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.497 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.22 -134.53 44.97 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.869 -0.605 . . . . 0.0 114.289 171.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.59 34.57 2.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.265 -0.493 . . . . 0.0 113.069 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' HB2' ' CG ' ' A' ' 7' ' ' LYS . 18.5 mt -120.79 143.18 48.97 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -121.45 141.71 50.74 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.074 0.464 . . . . 0.0 110.794 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.87 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 3.0 tt -141.17 132.58 26.79 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 1.024 HG23 ' HA3' ' A' ' 4' ' ' GLY . 20.2 m -128.26 129.12 45.9 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.965 -176.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.823 ' H ' ' HA2' ' A' ' 4' ' ' GLY . 57.5 mt -123.99 98.29 5.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.501 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 m -104.3 139.3 39.49 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.284 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.594 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 2.5 pp0? -149.67 144.55 26.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.392 0.615 . . . . 0.0 112.505 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -99.76 -118.06 0.15 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.141 174.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.43 -54.41 16.31 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.012 -1.09 . . . . 0.0 110.883 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -158.72 97.13 1.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.644 0.735 . . . . 0.0 109.147 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.594 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 35.9 tttm -170.78 115.85 0.46 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.592 -1.185 . . . . 0.0 107.95 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.41 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 7.3 m-85 -113.39 148.05 36.55 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.739 -174.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.497 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 15.3 t -141.13 136.05 31.5 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.861 174.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.793 HG13 HD21 ' A' ' 13' ' ' LEU . 82.1 t -113.5 129.41 69.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.296 -173.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.777 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 34.0 ttmt -101.12 110.14 22.12 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -107.94 132.48 53.45 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 120.928 0.394 . . . . 0.0 111.071 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 18.8 m -144.34 118.1 9.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.424 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 70.5 m -160.51 143.09 13.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.139 -177.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m120 67.04 -75.47 0.06 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 124.015 0.822 . . . . 0.0 111.194 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -167.74 57.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.197 0.522 . . . . 0.0 110.037 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.538 ' O ' ' HA ' ' A' ' 27' ' ' SER . 27.2 ptt180 -162.35 142.08 9.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.98 0.419 . . . . 0.0 111.417 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -127.04 129.06 47.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.7 tt -154.68 139.23 9.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.836 0.35 . . . . 0.0 110.566 -175.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.633 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 35.3 m-20 -110.56 133.65 53.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.363 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 23' ' ' THR . 16.3 t -110.54 110.34 31.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.5 p -103.62 138.45 28.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.581 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 18.7 p90 -159.35 145.03 16.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.459 0.647 . . . . 0.0 111.215 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.495 ' HB2' HG21 ' A' ' 41' ' ' VAL . 98.4 mt-10 -103.96 148.44 26.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.556 177.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.81 124.44 21.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.36 37.76 58.76 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.733 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 56' ' ' THR . 78.3 t -125.61 135.22 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.772 0.286 . . . . 0.0 110.545 178.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.457 ' HB3' ' HB ' ' A' ' 56' ' ' THR . 2.4 p30 -103.99 139.28 39.34 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 45.0 p90 -162.66 155.17 19.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.829 -172.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -104.42 137.19 42.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.547 175.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -155.04 142.33 19.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.683 0.277 . . . . 0.0 110.55 -175.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.3 t -102.72 128.24 49.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.868 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.525 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 95.5 mt -112.57 125.83 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.177 -176.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.85 31.11 15.05 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.38 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.2 t0 49.19 49.83 18.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.168 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.78 -53.78 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.489 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.574 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 69.2 p -92.36 122.86 35.22 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.558 -0.377 . . . . 0.0 110.102 178.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -111.2 94.74 5.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 11.2 mp -104.42 124.27 48.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.423 -173.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 6.8 m -104.83 114.25 28.34 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.585 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.36 165.64 38.39 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 118.795 -1.669 . . . . 0.0 114.725 -173.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 9.3 t -106.49 148.66 27.93 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.113 -0.543 . . . . 0.0 109.998 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.746 ' HZ2' ' HB3' ' A' ' 64' ' ' LEU . 66.0 t-105 -125.5 140.81 52.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.465 ' OG1' HG13 ' A' ' 65' ' ' VAL . 20.7 p -133.37 142.76 48.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.995 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.1 ttt -125.2 106.01 9.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.244 0.545 . . . . 0.0 109.786 171.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -103.83 108.57 19.94 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.629 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.46 -104.92 1.15 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.974 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -124.6 40.78 3.66 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.411 0.624 . . . . 0.0 109.411 175.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 4.3 mppt? -124.88 128.38 48.58 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.932 177.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.746 ' HB3' ' HZ2' ' A' ' 57' ' ' TRP . 45.6 mt -108.47 122.04 46.21 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.006 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.465 HG13 ' OG1' ' A' ' 58' ' ' THR . 3.1 p -160.35 152.65 4.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.454 -169.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.57 -149.93 7.23 Favored Glycine 0 N--CA 1.439 -1.136 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.334 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 5.0 ttmp? -161.72 107.03 1.29 Allowed 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.592 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 6.6 m-85 -117.48 150.35 39.07 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.739 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 5.0 ptpp? -121.83 126.36 48.6 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.331 0.586 . . . . 0.0 111.34 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.607 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -94.45 106.67 18.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.365 -179.052 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -63.55 -40.47 89.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -173.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.497 ' HB3' ' NE ' ' A' ' 70' ' ' ARG . 35.0 t70 -62.05 -37.59 85.55 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.811 0.339 . . . . 0.0 111.404 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.576 ' H ' ' HD2' ' A' ' 70' ' ' ARG . 6.2 m120 -71.12 -48.32 52.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.704 0.764 . . . . 0.0 109.777 176.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.36 -64.48 0.14 Allowed Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.502 ' C ' ' HB2' ' A' ' 69' ' ' LYS . 19.0 ptpt 176.04 54.03 0.0 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.066 -0.567 . . . . 0.0 111.473 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.739 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 3.1 mt-10 -168.01 139.72 2.94 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 176.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.607 ' HB2' ' HB2' ' A' ' 70' ' ' ARG . 5.0 tt -169.13 103.64 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 168.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 58.7 mt -118.81 131.0 72.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.945 0.403 . . . . 0.0 111.876 -169.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.627 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -106.67 129.65 54.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.001 174.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.7 t -140.82 129.01 23.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.676 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 13.7 tpt180 -166.71 148.95 6.44 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.455 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 12.4 pt-20 -105.71 166.06 10.73 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 171.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.6 mm -101.79 123.18 54.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 3.7 p -108.1 122.88 47.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.51 -121.97 26.41 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -123.93 96.68 5.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 122.276 1.036 . . . . 0.0 109.15 164.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.594 ' HA ' ' HA ' ' A' ' 104' ' ' LYS . 14.2 pt-20 -169.62 166.31 9.98 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.4 tp -138.4 127.23 23.76 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.391 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.676 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 32.1 mm -104.86 150.4 7.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 171.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.2 tp-100 -131.17 112.72 13.08 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.418 -176.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.627 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -104.58 125.99 51.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.329 -176.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.475 ' HD2' HD21 ' A' ' 77' ' ' LEU . 21.8 m-85 -104.29 107.24 18.06 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 5.7 m -104.22 134.34 47.61 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.12 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -145.85 122.36 11.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.977 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 68.3 -60.44 0.42 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.285 0.99 . . . . 0.0 111.638 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.89 31.36 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 93' ' ' THR . 22.0 t -131.68 130.06 61.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.64 126.14 55.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.245 0.545 . . . . 0.0 110.819 176.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.34 126.14 36.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.583 ' HB3' HG23 ' A' ' 91' ' ' THR . 18.5 pttm -130.85 137.28 49.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.141 0.496 . . . . 0.0 112.09 -172.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.65 ' HD3' ' CZ ' ' A' ' 103' ' ' PHE . 32.4 ttt-85 -104.79 154.73 19.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.535 178.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.3 tt -101.58 136.43 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.314 0.578 . . . . 0.0 112.001 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.65 ' CZ ' ' HD3' ' A' ' 101' ' ' ARG . 52.6 m-85 -144.65 167.51 22.38 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -141.69 162.92 34.3 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.513 -178.521 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.587 ' HD3' ' CE2' ' A' ' 6' ' ' TRP . 23.8 tptp -68.38 131.36 45.17 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.626 ' CB ' ' HB ' ' A' ' 5' ' ' THR . 8.1 tp10 . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.989 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.097 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.569 HG22 ' OG1' ' A' ' 14' ' ' THR . 48.6 p -99.91 129.29 45.98 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 1.035 ' HZ3' ' HA ' ' A' ' 87' ' ' GLU . 23.9 m95 -136.52 103.44 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -177.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.833 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 33.0 tptt -166.17 167.95 15.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.901 0.381 . . . . 0.0 111.51 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.728 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . 15.3 t -100.85 155.48 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.472 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.84 139.94 9.6 Favored Glycine 0 C--N 1.335 0.511 0 O-C-N 123.412 0.445 . . . . 0.0 113.506 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.63 -36.4 3.85 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.541 -0.623 . . . . 0.0 111.541 -175.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.691 HD22 ' HA ' ' A' ' 28' ' ' SER . 13.0 mt -111.44 165.23 12.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.409 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -142.78 148.7 37.62 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.596 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.833 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 4.5 tt -150.81 132.08 14.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.087 0.47 . . . . 0.0 109.783 -175.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.729 ' H ' ' HB3' ' A' ' 25' ' ' LYS . 19.1 m -142.26 136.43 29.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.011 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 23' ' ' THR . 48.7 mt -132.8 139.63 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -134.89 130.53 36.06 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.573 ' HG2' ' CD2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -163.6 168.86 19.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.516 -170.47 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 1.022 ' H ' ' HB2' ' A' ' 20' ' ' ASN . 12.6 pt-20 -166.29 59.54 0.1 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.524 0.73 . . . . 0.0 109.82 178.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.1 63.17 3.56 Favored Glycine 0 C--N 1.343 0.953 0 N-CA-C 107.255 -2.338 . . . . 0.0 107.255 -165.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 1.022 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -149.09 -170.65 3.68 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -146.651 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 34.7 ttpt -96.63 123.46 40.31 Favored 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 110.87 -2.877 . . . . 0.0 106.451 176.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.59 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 1.3 m-30 -101.72 117.58 35.18 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.241 -168.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.583 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -108.56 124.52 50.6 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.468 -179.059 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.572 HG13 HD21 ' A' ' 13' ' ' LEU . 69.7 t -103.73 133.7 46.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.894 -175.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.729 ' HB3' ' H ' ' A' ' 14' ' ' THR . 74.3 tttt -101.84 105.37 16.2 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.769 ' HB3' HG23 ' A' ' 33' ' ' ILE . 6.7 tp10 -105.55 138.08 42.34 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -151.28 134.73 16.19 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.528 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.691 ' HA ' HD22 ' A' ' 11' ' ' LEU . 50.4 m -153.12 112.3 3.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.77 0.319 . . . . 0.0 111.414 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 66.1 -62.3 0.26 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.274 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.93 45.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.003 0.43 . . . . 0.0 111.155 -176.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -160.81 135.72 7.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.149 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -126.31 129.82 49.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.794 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.769 HG23 ' HB3' ' A' ' 26' ' ' GLU . 3.6 tt -146.59 134.95 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.043 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.554 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 13.1 p-10 -107.7 137.76 45.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.094 0.473 . . . . 0.0 110.796 178.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.57 109.49 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.4 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.4 p -106.68 132.2 54.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.003 0.43 . . . . 0.0 111.406 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.635 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 8.9 p90 -153.46 141.52 20.34 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.381 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.742 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 33.2 tt0 -100.7 143.75 30.49 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.587 -173.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.643 HD12 ' H ' ' A' ' 20' ' ' ASN . 1.1 mt -53.23 112.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.816 -175.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.3 40.74 69.75 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.08 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 38' ' ' GLU . 71.6 t -124.04 138.19 54.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.934 0.367 . . . . 0.0 110.348 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -106.85 133.93 50.76 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.635 ' HZ ' ' HB3' ' A' ' 37' ' ' PHE . 51.1 p90 -164.39 165.28 21.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -169.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -104.62 132.35 50.97 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 173.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -143.54 140.14 30.1 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 51' ' ' THR . 36.8 t -102.85 128.81 49.47 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 121.153 0.502 . . . . 0.0 110.132 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.407 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 54.1 mt -110.3 136.34 49.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.699 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.05 24.71 11.47 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.891 0.745 . . . . 0.0 110.755 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 51.67 38.84 23.82 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.263 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.52 -54.95 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.538 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.544 ' O ' ' HA ' ' A' ' 46' ' ' SER . 49.7 p -77.56 139.53 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -125.52 99.54 6.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.722 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 10.7 mp -103.97 124.16 48.5 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.306 -174.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 6.3 m -104.93 113.55 27.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 171.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -167.03 165.97 38.89 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 119.541 -1.314 . . . . 0.0 113.744 -175.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 13.1 t -108.95 146.52 33.7 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.537 ' CZ2' ' HB3' ' A' ' 64' ' ' LEU . 31.6 t-105 -129.04 136.03 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.919 -178.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.9 p -132.75 129.21 38.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 111.054 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.529 ' HG2' ' HE2' ' A' ' 22' ' ' PHE . 9.4 tpt -107.31 104.99 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 173.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -104.56 103.68 13.4 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.623 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.38 -66.65 0.75 Allowed Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.195 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -165.81 41.0 0.06 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -141.69 126.39 18.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.781 -178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.537 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 32.9 mt -103.57 104.63 14.71 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.867 -176.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.6 t -135.21 136.24 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.673 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -169.41 -157.31 11.72 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -166.2 120.85 1.16 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.722 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 9.2 m-85 -121.19 147.27 45.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.48 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 35.6 ttmt -104.4 127.27 52.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.319 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.641 ' HE ' ' HB3' ' A' ' 72' ' ' ASP . 20.7 ttt180 -125.98 101.12 6.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.362 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.467 ' C ' ' H ' ' A' ' 73' ' ' ASN . 8.7 p -70.65 -15.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.169 0.509 . . . . 0.0 110.279 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.641 ' HB3' ' HE ' ' A' ' 70' ' ' ARG . 37.2 t70 -70.51 24.23 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.068 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' A' ' 71' ' ' VAL . 45.5 t30 -173.22 -41.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.449 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . -162.31 -84.86 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 62.6 pttt -173.7 34.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.599 0.238 . . . . 0.0 111.105 172.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.521 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 37.5 mt-10 -162.99 147.09 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.344 0.592 . . . . 0.0 111.223 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.551 HD22 ' HD2' ' A' ' 70' ' ' ARG . 40.7 tp -167.09 104.33 0.55 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 171.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.653 ' HB ' ' HB ' ' A' ' 93' ' ' THR . 48.1 mt -115.39 148.27 18.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.667 -170.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.67 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -121.74 130.79 53.68 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 171.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.8 p -149.86 124.33 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.522 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.515 ' HG3' ' H ' ' A' ' 82' ' ' GLU . 14.0 tpt180 -169.18 166.2 10.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.495 174.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.515 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 8.3 pt-20 -126.31 146.58 49.97 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.957 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.603 ' CD1' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -102.61 128.18 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.901 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 166.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 46.9 m -148.06 98.09 2.88 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 118.325 -1.35 . . . . 0.0 112.159 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 51.3 39.94 44.4 Favored Glycine 0 CA--C 1.498 -1.023 0 N-CA-C 108.595 -1.802 . . . . 0.0 108.595 -175.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.516 ' HB2' ' O ' ' A' ' 84' ' ' SER . 4.2 t-20 -166.65 173.68 9.45 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-N 112.469 -1.866 . . . . 0.0 107.699 -159.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 1.035 ' HA ' ' HZ3' ' A' ' 6' ' ' TRP . 0.7 OUTLIER -103.17 167.94 9.5 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 113.319 -1.764 . . . . 0.0 107.385 -178.027 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.603 HD13 ' CD1' ' A' ' 83' ' ' ILE . 12.6 tp -96.19 129.63 43.45 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-O 121.922 0.868 . . . . 0.0 112.155 -165.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.613 HG13 HG23 ' A' ' 102' ' ' ILE . 4.0 mp -101.82 163.56 3.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.442 ' HB3' ' HE2' ' A' ' 103' ' ' PHE . 52.5 tt0 -138.74 118.8 13.42 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 121.368 -0.833 . . . . 0.0 111.313 -175.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 7.4 m -104.99 133.0 50.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.28 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.461 ' HD2' HD11 ' A' ' 77' ' ' LEU . 6.9 m-85 -104.05 108.32 19.62 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 167.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.653 ' HB ' ' HB ' ' A' ' 78' ' ' ILE . 34.3 m -102.44 134.86 45.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.862 -175.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.449 ' OH ' ' HA3' ' A' ' 74' ' ' GLY . 46.1 t80 -147.61 122.3 9.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.695 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 56.38 43.69 25.77 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.588 0.708 . . . . 0.0 110.465 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.54 14.34 69.44 Favored Glycine 0 CA--C 1.521 0.434 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.503 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 93' ' ' THR . 25.4 t -104.19 135.6 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 117.034 0.417 . . . . 0.0 109.931 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.615 ' HG3' HG23 ' A' ' 91' ' ' THR . 7.2 tt0 -104.93 133.87 49.01 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.239 0.543 . . . . 0.0 111.478 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.66 113.78 9.39 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -129.26 148.73 51.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -168.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 89' ' ' ILE . 38.7 tpt85 -122.67 143.06 50.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.56 -1.2 . . . . 0.0 107.952 172.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.613 HG23 HG13 ' A' ' 89' ' ' ILE . 73.7 mt -100.31 126.79 53.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.379 0.609 . . . . 0.0 111.029 -173.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' A' ' 88' ' ' LEU . 55.0 m-85 -123.01 168.48 12.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.824 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.765 ' HA ' ' HB3' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -142.29 165.41 27.51 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 6' ' ' TRP . 8.8 tmtm? -54.69 132.86 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.631 ' H ' ' HA ' ' A' ' 6' ' ' TRP . 19.8 tt0 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.434 -0.793 . . . . 0.0 110.426 -174.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.855 0 N-CA-C 111.782 -0.527 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -101.2 127.73 47.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.659 0.266 . . . . 0.0 110.812 -178.765 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.536 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 6.4 m0 -132.0 102.18 5.72 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.001 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 29.4 tptt -168.15 171.0 9.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.081 0.467 . . . . 0.0 111.925 -176.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.612 HG23 ' HD1' ' A' ' 103' ' ' PHE . 38.5 t -99.33 146.47 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.288 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.21 140.03 5.02 Favored Glycine 0 C--N 1.335 0.509 0 O-C-N 123.728 0.642 . . . . 0.0 113.925 -174.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.78 -38.77 3.01 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -174.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.877 HD22 ' HA ' ' A' ' 28' ' ' SER . 23.4 mt -104.9 165.59 10.97 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -146.26 143.12 28.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.893 0.377 . . . . 0.0 110.149 174.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.001 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 3.6 tt -139.79 135.17 32.76 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.542 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.8 m -135.03 122.28 21.58 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -110.77 115.05 48.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 m -123.01 144.37 49.31 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.395 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.61 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.7 pm0 -130.34 132.83 46.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.295 0.569 . . . . 0.0 111.274 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' HG3' ' HB2' ' A' ' 21' ' ' LYS . 10.4 pt-20 -104.27 87.07 2.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.85 174.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.56 -103.65 1.56 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -167.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.548 ' HB3' HD13 ' A' ' 39' ' ' LEU . 4.3 m120 -125.82 94.35 4.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 166.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 8.6 mtpm? -169.51 106.17 0.38 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -103.67 128.96 50.92 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.447 -171.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 9.5 t -115.45 129.66 56.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.352 175.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.815 HG13 HD21 ' A' ' 13' ' ' LEU . 54.6 t -104.2 124.85 58.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.667 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 40.0 tttm -100.47 110.4 22.58 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 4.5 mm-40 -103.69 136.71 42.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.405 0.622 . . . . 0.0 111.063 -176.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 7.5 m -144.81 110.81 5.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.713 177.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.877 ' HA ' HD22 ' A' ' 11' ' ' LEU . 58.5 m -158.72 152.38 23.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 -174.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 m120 68.1 -78.38 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.795 0.684 . . . . 0.0 110.785 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -167.37 47.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.586 ' O ' ' HA ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -144.71 148.83 34.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.064 -167.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 12.5 p30 -145.38 115.71 7.55 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.551 174.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -152.67 136.48 8.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.237 -172.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.0 137.61 41.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.253 -176.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.513 HG22 HD22 ' A' ' 47' ' ' LEU . 14.7 t -114.02 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 11.4 p -107.5 137.95 36.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.954 0.407 . . . . 0.0 110.969 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 17.3 p90 -150.27 143.55 25.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.918 -177.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.408 ' HB3' HG21 ' A' ' 41' ' ' VAL . 85.5 tt0 -103.65 141.99 35.09 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 20' ' ' ASN . 6.4 mp -59.21 121.71 12.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.283 -173.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 58' ' ' THR . . . 74.62 30.15 60.45 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.898 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 38' ' ' GLU . 81.7 t -119.06 137.94 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.847 0.356 . . . . 0.0 110.381 178.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.471 ' HB3' ' HB ' ' A' ' 56' ' ' THR . 9.1 p-10 -104.35 141.08 36.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.394 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 42.2 p90 -163.81 150.39 11.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.108 0.48 . . . . 0.0 111.667 -173.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.562 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -104.65 136.22 44.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.581 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -159.54 149.69 18.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.796 0.331 . . . . 0.0 110.749 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 t -102.26 126.23 49.19 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.629 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.578 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 85.2 mt -108.34 129.6 55.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.626 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 51.96 32.14 9.63 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.936 0.773 . . . . 0.0 112.287 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.42 47.13 24.46 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.195 178.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.4 -51.47 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.743 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.61 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 82.1 p -94.61 124.34 38.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 117.169 0.485 . . . . 0.0 110.414 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.649 ' H ' ' HD3' ' A' ' 70' ' ' ARG . 16.6 mt-10 -111.13 91.51 3.69 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.61 ' CD1' ' HB ' ' A' ' 51' ' ' THR . 10.9 mp -103.38 127.05 50.84 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.048 -172.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.562 HG23 ' HB2' ' A' ' 44' ' ' ALA . 7.3 m -107.94 112.3 24.82 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.77 166.37 39.02 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 118.985 -1.579 . . . . 0.0 114.163 -173.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.471 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 15.2 t -110.53 143.78 40.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.189 -0.506 . . . . 0.0 110.113 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 24.0 t-105 -119.82 135.61 54.79 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.412 HG22 ' HA2' ' A' ' 40' ' ' GLY . 45.5 p -134.79 137.21 43.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.918 0.389 . . . . 0.0 110.89 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.0 ttm -104.24 116.49 32.27 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 172.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -103.51 102.83 12.74 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.75 -112.24 4.62 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.267 -173.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -114.43 52.96 0.81 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.523 0.678 . . . . 0.0 109.294 172.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.64 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 10.6 mptt -138.26 138.02 38.04 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.067 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.7 mt -110.83 104.86 13.52 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.769 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.51 140.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.022 -174.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -166.65 -159.63 12.63 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.773 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -165.07 114.75 1.09 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.67 ' H ' HG12 ' A' ' 78' ' ' ILE . 12.5 m-85 -125.11 146.08 49.64 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.144 0.497 . . . . 0.0 110.779 -177.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 34.4 ttmt -110.47 125.45 53.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.626 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.657 ' CZ ' ' HB2' ' A' ' 72' ' ' ASP . 14.5 tpt180 -124.91 105.27 9.1 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.43 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 8.7 p -64.06 -34.34 68.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -173.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.657 ' HB2' ' CZ ' ' A' ' 70' ' ' ARG . 41.7 t0 -56.79 -42.68 79.89 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.739 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -83.83 -54.15 5.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.712 0.292 . . . . 0.0 111.737 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -178.76 39.23 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.574 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 55.0 pttt 47.15 35.63 3.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.5 1.12 . . . . 0.0 112.529 -176.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -159.7 134.75 8.06 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.486 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 4.8 tt -168.42 104.82 0.45 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.67 HG12 ' H ' ' A' ' 68' ' ' PHE . 20.4 mt -119.09 165.63 14.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.371 -173.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -137.04 114.83 11.29 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -133.69 128.59 54.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.213 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.7 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 20.9 tpt180 -165.08 148.82 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.052 0.453 . . . . 0.0 111.897 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.64 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 1.0 OUTLIER -104.47 165.96 10.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.796 174.748 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.6 mm -101.74 120.9 52.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.2 t -110.81 128.56 55.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.55 -123.4 32.63 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -172.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -130.71 95.08 3.76 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 118.984 -1.086 . . . . 0.0 109.247 162.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -171.26 153.25 3.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.283 -1.326 . . . . 0.0 107.77 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.1 tp -117.72 126.36 52.32 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.394 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.7 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.3 mp -104.3 147.73 9.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 170.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 50.6 tt0 -124.16 115.09 20.54 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.783 -174.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.918 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -110.22 132.81 53.84 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.623 -178.312 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.587 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 3.3 m-85 -101.33 118.28 36.65 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 169.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.72 ' CG2' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -100.8 129.5 46.69 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.985 -168.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -165.76 149.54 8.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.276 -172.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.432 ' HA ' ' OE1' ' A' ' 95' ' ' GLU . 4.8 tp10 48.9 48.18 20.73 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.519 ' O ' HG13 ' A' ' 97' ' ' VAL . . . 119.44 -108.61 1.54 Allowed Glycine 0 N--CA 1.43 -1.707 0 CA-C-N 113.834 -1.53 . . . . 0.0 110.646 -166.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.72 HG12 ' CG2' ' A' ' 93' ' ' THR . 2.1 m -171.16 89.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 117.449 -1.262 . . . . 0.0 111.706 176.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 97' ' ' VAL . 6.0 pt-20 -179.47 130.66 0.1 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 162.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.759 ' H ' HG22 ' A' ' 91' ' ' THR . . . -169.81 102.76 0.31 Allowed 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 114.068 -1.424 . . . . 0.0 107.327 164.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.918 ' HB3' HG23 ' A' ' 91' ' ' THR . 12.4 pttt -126.46 139.1 53.5 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -164.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -124.89 144.16 50.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 113.565 -1.652 . . . . 0.0 107.694 171.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.48 HG23 HG13 ' A' ' 89' ' ' ILE . 55.4 mt -101.94 126.25 55.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.285 0.564 . . . . 0.0 111.388 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.612 ' HD1' HG23 ' A' ' 8' ' ' VAL . 53.7 m-85 -120.97 166.52 13.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.465 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -143.62 154.77 43.89 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.423 -175.493 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.546 ' HD3' ' N ' ' A' ' 106' ' ' GLU . 3.4 tmtp? -61.56 126.28 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.018 0.437 . . . . 0.0 110.433 -177.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.546 ' N ' ' HD3' ' A' ' 105' ' ' LYS . 17.2 tp10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.332 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.965 ' HA3' ' HB ' ' A' ' 16' ' ' THR . . . . . . . . 0 C--O 1.182 -3.107 0 CA-C-O 118.627 -1.096 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p -103.45 122.11 44.21 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 117.771 -3.194 . . . . 0.0 114.916 -169.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.637 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -132.42 113.51 13.23 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 164.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.012 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 11.2 tptm -168.74 169.84 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 119.398 0.999 . . . . 0.0 112.697 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.418 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 21.7 t -100.26 144.29 12.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.067 178.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.96 126.81 10.48 Favored Glycine 0 C--N 1.332 0.309 0 O-C-N 123.539 0.525 . . . . 0.0 113.465 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.67 -32.29 6.31 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 -175.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.85 HD22 ' HA ' ' A' ' 28' ' ' SER . 17.4 mt -118.44 165.77 13.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.428 ' H ' ' HB2' ' A' ' 27' ' ' SER . 14.8 ptpt -133.47 146.91 51.57 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 1.012 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 2.1 tt -148.96 121.03 8.26 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.951 ' HA ' ' O ' ' A' ' 4' ' ' GLY . 28.8 m -104.91 121.05 42.9 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.453 -175.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.634 HG22 ' HE1' ' A' ' 6' ' ' TRP . 29.9 mt -158.58 104.9 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.475 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.965 ' HB ' ' HA3' ' A' ' 4' ' ' GLY . 0.3 OUTLIER -175.34 109.79 0.11 Allowed 'General case' 0 N--CA 1.434 -1.267 0 O-C-N 121.174 -0.954 . . . . 0.0 110.329 169.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.904 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 5.7 tp-100 -103.53 158.35 16.42 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 120.685 -1.26 . . . . 0.0 113.969 -172.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.617 ' HG3' ' OE1' ' A' ' 17' ' ' GLN . 1.5 pp20? -54.84 -39.3 68.45 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.255 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.593 ' H ' ' HG3' ' A' ' 17' ' ' GLN . . . -171.76 -53.7 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 177.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.533 ' HB3' HD13 ' A' ' 39' ' ' LEU . 6.2 m120 -148.77 94.02 2.21 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 172.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.904 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 34.7 mttm -169.47 129.73 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 174.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.639 ' HD1' ' O ' ' A' ' 21' ' ' LYS . 13.0 m-30 -121.82 103.66 9.02 Favored 'General case' 0 C--N 1.286 -2.177 0 O-C-N 119.696 -1.877 . . . . 0.0 112.192 -165.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 2.3 m -110.05 113.45 26.17 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.903 -1.044 . . . . 0.0 108.939 167.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.571 ' HA ' ' O ' ' A' ' 14' ' ' THR . 93.4 t -103.79 122.03 56.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.844 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 38.7 tttp -101.93 111.19 23.37 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.522 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.34 143.66 32.68 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.265 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB2' ' H ' ' A' ' 12' ' ' LYS . 22.9 m -155.7 136.34 13.38 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.978 -175.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.85 ' HA ' HD22 ' A' ' 11' ' ' LEU . 49.3 m -158.06 134.8 9.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.52 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 64.71 -71.07 0.08 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.584 0.754 . . . . 0.0 112.412 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -160.68 47.66 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.603 0.716 . . . . 0.0 110.193 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 28' ' ' SER . 7.7 ptm180 -146.0 146.83 31.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.337 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -152.01 125.41 8.8 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 tp -150.83 132.37 5.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.022 -172.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 1.4 m-20 -104.12 124.78 49.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 23' ' ' THR . 5.0 t -104.66 117.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 175.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.32 128.51 60.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.107 0.479 . . . . 0.0 111.143 -177.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.414 ' HE2' ' CD1' ' A' ' 57' ' ' TRP . 11.4 p90 -159.19 151.86 21.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.797 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -107.87 159.61 16.39 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.603 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.0 mp -66.11 128.21 35.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -175.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.17 36.2 28.23 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.839 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 56' ' ' THR . 64.4 t -124.18 132.96 70.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.487 0.184 . . . . 0.0 110.636 178.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -103.46 137.38 41.63 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 174.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -155.39 145.05 21.27 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.958 0.409 . . . . 0.0 111.286 -173.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.628 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -111.88 130.32 55.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -163.12 154.7 17.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.276 -174.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.438 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 29.6 t -101.86 125.72 48.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.21 175.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.5 mt -111.08 129.81 55.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.371 -175.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.5 36.63 26.16 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 124.029 0.831 . . . . 0.0 112.08 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 54.24 48.64 20.39 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.507 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.73 -84.66 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.046 -1.073 . . . . 0.0 112.723 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.536 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 68.0 p -64.26 127.52 31.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.597 0.237 . . . . 0.0 110.838 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 46' ' ' SER . 54.8 mt-10 -115.58 95.28 5.07 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.6 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 11.2 mp -104.33 123.53 47.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.453 -172.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.628 HG23 ' HB2' ' A' ' 44' ' ' ALA . 7.8 m -104.08 106.53 17.07 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 174.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.416 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -159.79 165.3 34.56 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 118.456 -1.83 . . . . 0.0 114.933 -172.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 10.9 t -118.98 144.28 46.58 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.508 -0.846 . . . . 0.0 109.64 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.672 ' CZ2' ' HB3' ' A' ' 64' ' ' LEU . 65.9 t-105 -124.26 138.64 54.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.327 -174.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.3 p -142.43 132.01 23.88 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.706 0.289 . . . . 0.0 110.575 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.415 ' HB2' ' HE2' ' A' ' 22' ' ' PHE . 26.0 ttt -105.01 115.44 30.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -104.15 104.56 14.5 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.94 -120.45 16.36 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.309 -0.948 . . . . 0.0 110.733 -170.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -110.76 36.38 3.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.133 0.492 . . . . 0.0 109.993 173.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.591 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -120.55 135.9 54.95 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.849 177.328 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.672 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 40.0 mt -114.53 111.86 22.04 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.303 -176.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.579 HG22 HG13 ' A' ' 80' ' ' VAL . 87.2 t -141.28 134.52 30.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.847 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.34 -148.37 5.37 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.569 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.483 ' HA ' HG12 ' A' ' 78' ' ' ILE . 80.9 tttt -165.51 131.26 2.59 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 57.2 m-85 -131.52 141.89 49.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.883 0.373 . . . . 0.0 110.055 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.739 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 51.2 tttm -104.16 112.17 25.07 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.066 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.47 ' HD3' ' H ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -94.71 68.74 3.38 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.02 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.7 p -63.66 -24.47 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.744 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -49.17 -35.39 16.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.16 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.47 ' H ' ' HD3' ' A' ' 70' ' ' ARG . 42.6 t30 -130.79 -41.11 1.18 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.579 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -131.39 -110.64 1.32 Allowed Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.476 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.919 ' HG2' ' HG3' ' A' ' 76' ' ' GLU . 15.7 ttpp -151.44 -38.31 0.12 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -171.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.919 ' HG3' ' HG2' ' A' ' 75' ' ' LYS . 46.3 mt-10 -150.15 123.39 8.93 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.978 -172.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.551 HD23 HD21 ' A' ' 53' ' ' LEU . 53.6 tp -130.66 113.08 13.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.955 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . 0.505 HG22 HG23 ' A' ' 80' ' ' VAL . 66.1 mt -119.23 132.2 69.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.08 -171.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.597 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -105.21 128.61 53.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.579 HG13 HG22 ' A' ' 65' ' ' VAL . 81.5 t -140.9 122.13 13.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 10.9 tpt180 -167.17 154.8 9.13 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 120.974 0.416 . . . . 0.0 111.912 175.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.591 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 14.3 pt-20 -104.57 158.2 16.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.879 175.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.401 HD11 ' CD1' ' A' ' 64' ' ' LEU . 8.0 mm -102.56 118.31 49.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 20.8 m -103.76 122.54 45.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.41 -120.1 19.47 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -172.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -129.96 96.51 4.22 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.371 163.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 84' ' ' SER . 25.7 pt-20 -168.4 151.42 5.48 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 174.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.9 tp -128.58 127.27 41.98 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.585 -0.846 . . . . 0.0 112.546 -176.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ILE . . . . . 0.627 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 56.6 mt -104.56 146.83 11.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 166.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.0 tp-100 -130.75 124.74 32.13 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.679 -175.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.62 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -112.6 124.67 53.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.792 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -103.93 109.33 21.05 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 29.8 m -102.33 106.92 17.78 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TYR . . . . . 0.526 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 8.9 t80 -112.26 118.07 34.28 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.253 -176.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 65.14 -60.54 0.24 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.193 0.933 . . . . 0.0 112.065 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.03 33.14 0.16 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.422 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 93' ' ' THR . 7.5 m -141.6 134.16 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 175.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -109.07 130.5 55.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.076 0.465 . . . . 0.0 111.22 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.53 121.21 35.99 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.473 176.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.62 ' HB3' HG23 ' A' ' 91' ' ' THR . 11.0 pttm -113.71 146.38 39.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.264 0.554 . . . . 0.0 111.971 -176.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -140.9 139.25 34.33 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.4 mp -102.88 134.63 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.02 0.438 . . . . 0.0 111.527 -170.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -137.13 161.68 35.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.509 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 156.62 43.28 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LYS . . . . . 0.591 ' HA ' ' HB3' ' A' ' 6' ' ' TRP . 62.7 tttm -70.12 141.93 52.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.707 0.289 . . . . 0.0 110.613 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.274 -0.87 . . . . 0.0 109.933 177.189 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -74.9 -22.67 58.49 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 113.417 0.895 . . . . 0.0 113.417 -171.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.816 ' HA ' ' O ' ' A' ' 15' ' ' ILE . 12.5 p-10 -60.34 81.22 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 122.014 0.911 . . . . 0.0 111.216 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.49 170.18 41.52 Favored Glycine 0 N--CA 1.441 -1.01 0 CA-C-N 114.596 -1.184 . . . . 0.0 110.267 -171.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.439 HG22 ' OG1' ' A' ' 14' ' ' THR . 25.3 p -99.83 126.08 45.88 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 117.316 0.558 . . . . 0.0 110.304 179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.546 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 3.4 m95 -127.49 100.35 5.98 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.845 ' HE3' ' HB2' ' A' ' 13' ' ' LEU . 1.7 tppp? -168.04 168.74 11.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.454 0.645 . . . . 0.0 111.521 -176.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.41 ' H ' ' CD ' ' A' ' 7' ' ' LYS . 96.0 t -100.17 143.03 14.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.18 178.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -49.32 134.71 23.94 Favored Glycine 0 C--N 1.333 0.376 0 O-C-N 123.323 0.389 . . . . 0.0 113.415 -174.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 106.54 -35.56 4.96 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.882 HD22 ' HA ' ' A' ' 28' ' ' SER . 22.8 mt -110.24 168.91 9.09 Favored 'General case' 0 C--N 1.318 -0.77 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 175.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' HG2' ' HB2' ' A' ' 27' ' ' SER . 54.8 pttt -142.67 147.95 36.56 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 175.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.845 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 3.3 tt -152.83 137.56 16.98 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 -177.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.515 ' N ' HD23 ' A' ' 13' ' ' LEU . 16.0 m -148.6 126.74 12.1 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.038 0.447 . . . . 0.0 110.293 -172.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.816 ' O ' ' HA ' ' A' ' 3' ' ' ASP . 5.0 mp -108.52 148.17 12.7 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 35.7 m -155.72 146.89 22.52 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -179.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.595 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -142.53 125.69 16.4 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 121.406 0.622 . . . . 0.0 111.906 -176.174 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HG3' ' HB2' ' A' ' 21' ' ' LYS . 4.9 pt-20 -94.08 87.74 5.41 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.342 173.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.95 -107.44 2.29 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 110.35 -1.1 . . . . 0.0 110.35 -169.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 3.3 m120 -119.91 95.67 4.86 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 168.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.834 ' HD2' ' HG2' ' A' ' 38' ' ' GLU . 24.6 mmmt -167.7 103.84 0.5 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 105.979 -1.86 . . . . 0.0 105.979 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -104.12 122.17 44.75 Favored 'General case' 0 C--N 1.313 -1.021 0 C-N-CA 119.684 -0.807 . . . . 0.0 111.431 -172.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.525 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 15.2 t -113.86 138.99 49.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.445 -0.798 . . . . 0.0 109.304 176.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.565 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 82.3 t -117.53 127.76 74.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.147 -177.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.741 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 83.1 tttt -101.93 107.23 18.32 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.483 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 4.8 tp10 -110.83 118.57 36.49 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.832 0.349 . . . . 0.0 111.753 -174.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.513 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 4.3 m -124.08 115.58 21.4 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 169.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.882 ' HA ' HD22 ' A' ' 11' ' ' LEU . 70.9 m -153.09 142.4 21.57 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.979 -178.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 45.8 t30 67.23 -72.22 0.09 Allowed 'General case' 0 C--N 1.329 -0.283 0 O-C-N 123.944 0.778 . . . . 0.0 111.718 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -171.75 47.66 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.006 0.431 . . . . 0.0 110.703 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.511 ' HD3' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -166.08 132.82 2.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.019 0.438 . . . . 0.0 110.876 174.608 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.483 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 11.3 t30 -109.21 125.54 52.35 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.625 176.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.589 HG12 HD22 ' A' ' 47' ' ' LEU . 7.4 tp -146.26 135.92 17.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.736 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.722 -175.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.565 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 2.8 m-20 -104.66 141.1 37.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.098 -178.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 47.7 t -127.98 117.98 47.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.525 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 13.9 p -104.79 139.75 24.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 120.777 0.322 . . . . 0.0 110.401 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 28.5 p90 -151.36 145.95 25.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.267 0.556 . . . . 0.0 111.054 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.834 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 26.1 mt-10 -103.76 144.15 31.86 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.409 ' HG ' ' HB3' ' A' ' 59' ' ' MET . 7.0 mp -63.02 112.27 2.53 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.116 0.484 . . . . 0.0 111.488 -173.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.525 ' HA2' HG22 ' A' ' 58' ' ' THR . . . 76.57 37.59 34.8 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.758 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 89.0 t -126.32 145.62 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 120.709 0.29 . . . . 0.0 110.533 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.6 ' HA ' ' HA ' ' A' ' 56' ' ' THR . 2.8 p30 -101.78 138.64 38.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.167 -178.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 38.0 p90 -157.97 149.94 21.94 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.135 -173.111 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.527 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -113.97 142.0 46.7 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.799 178.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CE1' ' HG ' ' A' ' 47' ' ' LEU . 45.7 p90 -157.86 149.77 21.98 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.866 0.365 . . . . 0.0 110.819 -175.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 51' ' ' THR . 29.1 t -105.3 126.2 51.83 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.576 173.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.589 HD22 HG12 ' A' ' 33' ' ' ILE . 36.8 mt -104.8 124.11 48.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.458 177.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.65 34.52 23.43 Favored 'General case' 0 C--O 1.233 0.233 0 O-C-N 123.877 0.736 . . . . 0.0 111.565 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 26.3 t70 50.38 49.97 19.65 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.679 -0.692 . . . . 0.0 111.335 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -157.67 -56.0 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.032 -1.08 . . . . 0.0 112.938 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.577 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 58.3 p -90.38 114.35 26.44 Favored 'General case' 0 C--N 1.321 -0.651 0 O-C-N 122.219 -0.577 . . . . 0.0 109.742 178.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -110.42 95.44 5.57 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.737 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 9.0 mp -103.84 123.96 48.05 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.367 -173.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.527 HG23 ' HB2' ' A' ' 44' ' ' ALA . 15.9 m -106.0 117.13 33.23 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 67' ' ' LYS . . . -167.33 165.66 38.76 Favored Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 119.179 -1.486 . . . . 0.0 114.065 -177.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.6 ' HA ' ' HA ' ' A' ' 42' ' ' ASP . 9.9 t -104.31 138.53 40.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.487 -0.356 . . . . 0.0 110.261 176.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.588 ' HE1' HD22 ' A' ' 64' ' ' LEU . 23.5 t-105 -117.82 126.08 51.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.623 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.525 HG22 ' HA2' ' A' ' 40' ' ' GLY . 68.5 p -114.58 135.12 54.48 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 178.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.409 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . 24.3 ttt -117.08 124.43 49.22 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.583 0.706 . . . . 0.0 110.951 176.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.502 ' HB3' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -101.19 153.82 19.28 Favored 'General case' 0 C--N 1.306 -1.311 0 N-CA-C 105.627 -1.99 . . . . 0.0 105.627 165.528 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -36.67 -36.79 0.18 Allowed Glycine 0 N--CA 1.463 0.454 0 O-C-N 123.89 0.744 . . . . 0.0 114.289 -172.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 69.9 m-80 -138.4 36.53 2.27 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.944 0.402 . . . . 0.0 110.613 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.864 ' HD2' ' HB3' ' A' ' 82' ' ' GLU . 30.5 mmmt -143.81 123.54 13.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.588 HD22 ' HE1' ' A' ' 57' ' ' TRP . 86.0 mt -113.16 113.01 24.76 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 176.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.431 HG22 HG13 ' A' ' 80' ' ' VAL . 59.2 t -139.56 138.03 39.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.249 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -159.62 -158.02 8.91 Favored Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.159 -1.02 . . . . 0.0 112.188 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.47 ' O ' ' HA3' ' A' ' 55' ' ' GLY . 45.0 tttp -165.63 123.49 1.54 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 178.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.737 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 42.8 m-85 -132.03 144.42 50.75 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.213 0.53 . . . . 0.0 111.035 -175.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.665 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 77.8 tttt -110.76 123.64 50.45 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.309 -177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 51' ' ' THR . 6.8 ttt180 -118.48 100.41 7.44 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 18.5 m -62.03 -33.01 56.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -79.38 40.8 0.44 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 58.9 t30 -171.38 -62.44 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.467 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.452 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . -167.08 34.05 0.21 Allowed Glycine 0 CA--C 1.509 -0.333 0 C-N-CA 120.14 -1.028 . . . . 0.0 112.364 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.665 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 23.4 pttp 43.02 21.39 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 115.328 1.603 . . . . 0.0 115.328 174.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.477 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 23.3 mt-10 -164.81 104.3 0.8 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.704 0.684 . . . . 0.0 111.919 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.537 HD11 ' HB3' ' A' ' 92' ' ' TYR . 64.0 tp -134.64 119.58 18.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.836 169.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.507 HG22 HG23 ' A' ' 80' ' ' VAL . 71.9 mt -123.52 139.02 51.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.491 -171.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.593 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -110.3 125.9 53.63 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 173.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.507 HG23 HG22 ' A' ' 78' ' ' ILE . 95.2 t -140.53 131.75 29.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.922 -178.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.72 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 16.5 tpt180 -166.08 144.78 5.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.864 ' HB3' ' HD2' ' A' ' 63' ' ' LYS . 3.9 pt-20 -104.63 162.46 13.25 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.682 172.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 13.6 mm -102.28 121.83 53.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.648 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -114.03 120.44 40.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.396 0.141 . . . . 0.0 110.813 -179.427 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.43 -130.47 51.04 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 -176.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.6 m-80 -112.6 95.04 5.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 119.482 -0.887 . . . . 0.0 109.196 167.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.648 ' HG2' ' O ' ' A' ' 84' ' ' SER . 22.4 pt-20 -170.29 165.64 8.87 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.845 -1.07 . . . . 0.0 108.446 175.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 30.5 tp -139.39 127.53 22.49 Favored 'General case' 0 C--N 1.311 -1.096 0 C-N-CA 120.37 -0.532 . . . . 0.0 109.653 170.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.72 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 30.9 mm -105.22 162.2 4.77 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.18 0 N-CA-C 107.116 -1.438 . . . . 0.0 107.116 172.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.463 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.4 tp-100 -142.81 115.27 8.51 Favored 'General case' 0 C--N 1.311 -1.071 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.199 -177.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.842 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -108.58 124.8 51.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.16 -177.028 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.537 ' HB3' HD11 ' A' ' 77' ' ' LEU . 22.8 m-85 -104.36 110.39 22.62 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.982 -0.748 . . . . 0.0 108.982 171.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 25.4 m -103.04 115.4 30.52 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.088 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.477 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 41.4 t80 -120.46 124.65 45.95 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.995 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 66.77 -69.4 0.13 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 124.013 0.82 . . . . 0.0 111.063 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -169.93 32.76 0.16 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.149 -0.548 . . . . 0.0 111.84 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 15.7 t -129.81 131.01 66.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.6 mp0 -104.75 123.52 47.79 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.672 -178.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.51 132.5 54.35 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 173.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.842 ' HB3' HG23 ' A' ' 91' ' ' THR . 22.5 pttp -140.77 137.33 33.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.263 0.554 . . . . 0.0 111.864 -173.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -104.85 146.86 28.4 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.129 174.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 89' ' ' ILE . 3.0 mp -103.17 129.65 54.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.912 -173.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -135.38 165.84 24.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 177.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.565 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -141.21 159.45 42.19 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.889 -0.411 . . . . 0.0 109.889 179.081 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 29.6 tptp -56.9 134.66 55.64 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.761 -0.638 . . . . 0.0 109.383 179.512 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -74.44 -105.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.903 -0.135 . . . . 0.0 111.068 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.0 t70 60.47 59.67 2.18 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.724 0.774 . . . . 0.0 109.14 -175.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.0 167.27 39.14 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 114.247 -1.342 . . . . 0.0 111.225 -172.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.528 HG22 ' OG1' ' A' ' 14' ' ' THR . 57.0 p -101.68 128.51 47.95 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -178.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.46 ' HA ' ' H ' ' A' ' 106' ' ' GLU . 7.9 m0 -131.38 100.75 5.27 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.934 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 13.0 tptm -168.49 166.99 11.97 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.785 -0.366 . . . . 0.0 111.626 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 39.7 t -111.63 120.1 61.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.328 0 N-CA-C 112.596 0.591 . . . . 0.0 112.596 -174.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 58.91 -124.35 36.39 Favored Glycine 0 CA--C 1.518 0.227 0 CA-C-N 115.794 -0.639 . . . . 0.0 114.626 168.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.07 -19.74 66.23 Favored Glycine 0 N--CA 1.454 -0.16 0 CA-C-N 115.1 -0.55 . . . . 0.0 114.037 -172.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.839 HD13 ' HE2' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -102.6 149.1 24.77 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 117.064 0.432 . . . . 0.0 110.039 177.754 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -130.66 154.95 47.37 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.885 -172.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.934 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 1.5 tt -156.16 134.86 11.74 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -175.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.575 ' H ' ' HB3' ' A' ' 25' ' ' LYS . 11.3 m -142.72 128.07 18.84 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 23' ' ' THR . 47.0 mt -116.13 104.83 17.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -179.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.6 m -106.1 148.11 28.18 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.507 -176.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.596 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -148.82 133.81 18.13 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.136 0.493 . . . . 0.0 111.487 179.149 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -108.09 93.04 4.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.321 -0.854 . . . . 0.0 109.219 173.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.63 -101.0 1.13 Allowed Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.4 -0.905 . . . . 0.0 111.118 -171.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.414 HD22 ' HA ' ' A' ' 20' ' ' ASN . 3.3 m120 -123.77 94.51 4.26 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.568 0.699 . . . . 0.0 109.251 170.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.596 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 24.8 ttmm -171.7 103.2 0.19 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 107.318 -1.364 . . . . 0.0 107.318 174.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.429 ' CE1' HD21 ' A' ' 39' ' ' LEU . 6.3 m-85 -104.34 134.42 47.59 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 121.255 0.55 . . . . 0.0 111.381 -173.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.638 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.2 t -128.43 130.18 47.24 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.576 177.272 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.924 ' HB ' HG12 ' A' ' 35' ' ' VAL . 72.2 t -106.95 132.65 53.75 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 -178.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.589 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 56.3 tttp -101.46 111.03 23.14 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 -178.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.81 143.51 32.72 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.1 -177.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.2 m -155.16 132.17 10.83 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.65 -178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.6 m -160.26 121.94 3.16 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.576 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.1 m120 65.02 -68.79 0.1 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 176.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -162.75 56.68 0.21 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.169 0.509 . . . . 0.0 111.565 -176.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.17 144.27 8.02 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.463 172.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -132.39 126.54 33.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.138 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 14.0 tt -153.49 141.54 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.895 0.379 . . . . 0.0 111.795 -175.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -105.68 141.65 36.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.177 177.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.924 HG12 ' HB ' ' A' ' 24' ' ' VAL . 8.4 p -108.75 130.3 61.81 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 171.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.0 p -120.58 134.43 64.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 C-N-CA 120.499 -0.48 . . . . 0.0 110.653 -177.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.67 ' HE2' HG13 ' A' ' 35' ' ' VAL . 17.4 p90 -161.0 142.48 11.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.405 0.622 . . . . 0.0 111.495 -176.003 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.567 ' HB2' HG21 ' A' ' 41' ' ' VAL . 53.8 mt-10 -104.11 148.15 26.6 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.468 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.634 ' H ' HD22 ' A' ' 39' ' ' LEU . 2.2 mm? -61.61 119.94 9.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.146 -174.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.58 38.15 28.93 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.872 -0.604 . . . . 0.0 112.684 179.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.567 HG21 ' HB2' ' A' ' 38' ' ' GLU . 97.2 t -124.98 133.76 68.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.861 0.362 . . . . 0.0 110.528 178.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -103.8 130.5 51.34 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.508 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 43.2 p90 -157.16 159.53 37.87 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.818 0.342 . . . . 0.0 111.38 -172.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.508 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -103.86 136.11 44.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.455 175.049 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -146.33 131.88 18.77 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.081 0.467 . . . . 0.0 110.825 -174.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.7 t -102.83 123.27 46.17 Favored 'General case' 0 N--CA 1.445 -0.691 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 175.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.672 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 5.5 mp -108.71 124.09 50.01 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.379 -177.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.29 33.61 18.68 Favored 'General case' 0 C--O 1.234 0.284 0 O-C-N 123.919 0.762 . . . . 0.0 111.569 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 52.34 39.73 27.89 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.085 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -144.99 -69.79 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.687 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.589 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.672 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 30.7 p -73.27 126.37 29.94 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 117.013 0.406 . . . . 0.0 110.121 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -119.08 90.87 3.42 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.462 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 10.8 mp -103.59 124.21 48.39 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.109 -174.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 4.2 m -112.85 110.57 20.76 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.509 -0.923 . . . . 0.0 108.509 173.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.595 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.34 166.36 38.8 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 118.894 -1.622 . . . . 0.0 114.166 -172.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.443 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 9.3 t -105.06 144.23 32.16 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.193 -0.503 . . . . 0.0 110.336 176.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.444 ' HE3' ' CE1' ' A' ' 68' ' ' PHE . 42.5 t-105 -125.57 138.12 53.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.372 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.5 p -136.46 131.85 34.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.715 0.293 . . . . 0.0 110.898 176.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.497 ' H ' HD12 ' A' ' 39' ' ' LEU . 26.8 ttt -115.69 107.0 14.53 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 173.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -103.66 104.48 14.53 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.369 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.65 -121.96 11.55 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.41 -0.9 . . . . 0.0 111.105 -171.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.559 ' HB3' ' HB ' ' A' ' 83' ' ' ILE . 55.0 m-80 -108.44 43.89 1.18 Allowed 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.202 0.525 . . . . 0.0 109.815 174.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 59' ' ' MET . 4.7 mptp? -126.02 124.36 40.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.589 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.419 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 50.0 mt -110.64 105.75 14.76 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.051 -177.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.568 HG22 HG13 ' A' ' 80' ' ' VAL . 26.1 t -141.31 140.88 31.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.374 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -171.51 -150.13 6.95 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 176.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -163.96 124.64 2.19 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.595 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 10.1 m-85 -123.5 141.96 51.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.071 0.462 . . . . 0.0 110.273 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.66 ' HG2' HG13 ' A' ' 71' ' ' VAL . 33.5 ttmt -103.13 107.08 17.75 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.154 -175.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.502 ' NE ' ' HA ' ' A' ' 51' ' ' THR . 13.7 tpt180 -86.09 75.41 9.92 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.882 -1.053 . . . . 0.0 109.505 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.66 HG13 ' HG2' ' A' ' 69' ' ' LYS . 9.0 m -61.22 -35.33 65.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.419 -175.343 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.61 -43.59 80.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.743 178.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.433 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 0.8 OUTLIER -95.67 -44.46 7.45 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.574 -175.282 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -162.1 -77.3 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.019 -1.086 . . . . 0.0 113.197 -178.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.61 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 12.5 pttp -168.29 -26.68 0.02 OUTLIER 'General case' 0 C--O 1.221 -0.422 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -177.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.501 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 35.1 mt-10 -149.59 117.87 6.43 Favored 'General case' 0 CA--C 1.508 -0.659 0 O-C-N 121.58 -0.7 . . . . 0.0 111.605 -175.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.46 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 62.1 tp -128.67 104.62 7.75 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 170.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.425 HG22 HG23 ' A' ' 80' ' ' VAL . 14.6 mt -114.29 149.14 16.68 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.842 -169.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.568 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -124.85 119.48 28.97 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 173.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.568 HG13 HG22 ' A' ' 65' ' ' VAL . 93.4 t -136.06 124.29 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.407 -175.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.618 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 12.8 tpt180 -166.01 154.43 10.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 121.026 0.441 . . . . 0.0 111.67 177.557 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -109.74 163.09 13.83 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.394 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.559 ' HB ' ' HB3' ' A' ' 62' ' ' ASN . 14.9 mm -101.11 124.98 55.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -177.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 t -114.64 128.08 56.12 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.66 -114.22 5.4 Favored Glycine 0 C--N 1.338 0.639 0 N-CA-C 110.786 -0.925 . . . . 0.0 110.786 -175.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.438 HD22 ' H ' ' A' ' 86' ' ' ASN . 0.0 OUTLIER -138.36 93.39 2.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 122.384 1.088 . . . . 0.0 109.928 162.196 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -170.53 141.48 1.93 Allowed 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 113.846 -1.524 . . . . 0.0 107.975 175.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.2 tp -112.71 125.09 53.93 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.213 0.53 . . . . 0.0 111.096 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.618 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.2 mp -104.28 147.86 9.79 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 170.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.474 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 3.6 tp-100 -130.79 118.4 20.77 Favored 'General case' 0 C--N 1.314 -0.954 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.663 -176.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.661 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -105.11 126.23 51.85 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.642 179.812 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -103.59 110.97 23.23 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.553 173.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.582 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 6.8 m -105.28 104.43 14.16 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.323 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.501 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 19.3 t80 -104.65 115.84 31.02 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.745 -179.266 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 65.6 -62.77 0.22 Allowed 'General case' 0 CA--C 1.534 0.354 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.009 177.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -165.73 35.34 0.25 Allowed Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.565 178.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.582 ' O ' ' HA ' ' A' ' 93' ' ' THR . 18.8 m -141.96 140.01 30.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 175.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -122.61 142.11 51.0 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.395 0.617 . . . . 0.0 111.56 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -142.76 129.05 19.92 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.661 ' HB3' HG23 ' A' ' 91' ' ' THR . 58.7 pttt -122.09 140.43 52.53 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.217 0.532 . . . . 0.0 111.974 -172.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.6 tpp180 -116.8 140.37 49.51 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 173.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.507 HG23 HG13 ' A' ' 89' ' ' ILE . 66.1 mt -102.3 126.19 56.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.077 0.465 . . . . 0.0 111.45 -172.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 28.9 m-85 -126.5 166.32 17.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.448 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.27 165.32 23.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.413 -179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -64.26 127.91 33.53 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 178.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.46 ' H ' ' HA ' ' A' ' 6' ' ' TRP . 6.0 tp10 . . . . . 0 C--O 1.251 1.159 0 CA-C-O 118.769 -0.634 . . . . 0.0 110.101 -177.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.565 0.221 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.419 ' HB2' ' OE1' ' A' ' 17' ' ' GLN . 65.7 m-85 -88.74 -114.04 0.06 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.813 179.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 30.1 t70 56.28 55.7 6.44 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 121.66 0.743 . . . . 0.0 109.703 -174.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.81 167.44 39.13 Favored Glycine 0 N--CA 1.444 -0.83 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.381 -173.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.539 HG22 ' OG1' ' A' ' 14' ' ' THR . 61.2 p -100.95 124.6 46.89 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.01 0.434 . . . . 0.0 110.055 179.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.488 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 5.9 m0 -127.18 103.91 7.68 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.937 -0.764 . . . . 0.0 108.937 -176.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.848 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 14.3 tptm -166.95 169.65 12.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.286 0.565 . . . . 0.0 112.433 -175.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.42 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 65.8 t -100.24 145.67 10.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.242 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.86 135.24 15.74 Favored Glycine 0 C--N 1.334 0.437 0 O-C-N 123.582 0.551 . . . . 0.0 113.709 -173.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.37 -36.92 3.88 Favored Glycine 0 N--CA 1.45 -0.414 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -175.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 1.032 HD22 ' HA ' ' A' ' 28' ' ' SER . 12.5 mt -105.6 164.3 12.01 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -140.08 148.88 42.39 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.848 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 3.4 tt -153.97 132.4 12.04 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 -177.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.539 ' OG1' HG22 ' A' ' 5' ' ' THR . 5.7 m -140.19 126.96 20.53 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 -175.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.45 ' HA ' ' O ' ' A' ' 23' ' ' THR . 59.4 mt -117.81 121.11 66.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -122.7 144.18 49.31 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.12 -177.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.732 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -144.03 137.62 27.77 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.932 0.396 . . . . 0.0 111.722 179.388 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -85.44 -134.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.29 175.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.3 -41.04 94.84 Favored Glycine 0 C--N 1.335 0.498 0 N-CA-C 110.364 -1.094 . . . . 0.0 110.364 171.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.4 p-10 -163.17 96.67 0.89 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.128 -1.036 . . . . 0.0 108.378 167.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.732 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 25.8 mttp -169.89 105.55 0.34 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 114.733 -1.121 . . . . 0.0 108.482 -178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -104.22 135.37 45.81 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.357 -0.537 . . . . 0.0 111.465 -175.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 15.0 t -135.2 137.65 42.85 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.506 174.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.442 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 97.8 t -119.48 127.4 75.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.183 -176.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.693 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 87.5 tttt -102.24 111.44 23.72 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.0 141.43 36.2 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.418 -176.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.54 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 38.9 m -158.3 114.2 2.72 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 176.245 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 1.032 ' HA ' HD22 ' A' ' 11' ' ' LEU . 39.8 m -151.48 115.07 4.86 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.202 -0.199 . . . . 0.0 111.43 -176.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.1 m120 67.11 -54.46 0.46 Allowed 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.051 0.94 . . . . 0.0 112.593 174.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -158.03 49.36 0.4 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.448 0.642 . . . . 0.0 109.331 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.492 ' O ' ' HA ' ' A' ' 27' ' ' SER . 3.5 mtp180 -140.05 142.51 36.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.611 -172.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -156.32 103.36 2.16 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.365 -0.834 . . . . 0.0 108.824 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.554 HD11 HD22 ' A' ' 47' ' ' LEU . 4.3 tt -161.14 139.14 2.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.369 -171.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 2.8 m-20 -109.8 141.63 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 175.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.47 HG12 ' HD2' ' A' ' 37' ' ' PHE . 40.5 t -116.11 117.72 56.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 175.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 p -111.94 134.66 53.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.628 0.252 . . . . 0.0 110.556 -177.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.47 ' HD2' HG12 ' A' ' 35' ' ' VAL . 19.0 p90 -159.96 145.44 15.36 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.394 0.616 . . . . 0.0 111.392 -173.731 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.772 ' H ' ' HZ ' ' A' ' 43' ' ' PHE . 55.3 mt-10 -104.43 144.06 32.16 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.293 175.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.638 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.3 mp -59.86 125.41 23.56 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.363 -173.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.09 38.59 54.93 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.982 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 36.4 t -131.38 148.88 32.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 178.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -102.44 136.02 43.02 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -178.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.772 ' HZ ' ' H ' ' A' ' 38' ' ' GLU . 35.1 m-85 -131.24 149.03 52.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -175.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.666 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -139.7 107.68 5.71 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -158.54 168.37 27.11 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.049 -175.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.509 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 15.0 t -99.95 123.07 43.8 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-O 121.709 0.766 . . . . 0.0 110.268 -178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.554 HD22 HD11 ' A' ' 33' ' ' ILE . 81.2 mt -103.79 137.91 41.13 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.047 179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.87 30.47 15.94 Favored 'General case' 0 C--N 1.33 -0.272 0 O-C-N 123.596 0.56 . . . . 0.0 111.608 -179.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 54.59 44.16 29.1 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.844 176.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -169.13 -57.51 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.023 -1.084 . . . . 0.0 113.295 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.507 HG22 ' CZ ' ' A' ' 70' ' ' ARG . 44.6 p -74.33 116.3 14.83 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 117.125 0.462 . . . . 0.0 109.858 -179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.509 ' HG2' ' HB2' ' A' ' 46' ' ' SER . 90.9 mt-10 -106.26 97.93 7.67 Favored 'General case' 0 CA--C 1.507 -0.707 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.745 HD21 HD23 ' A' ' 77' ' ' LEU . 10.7 mp -104.3 129.11 52.17 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.84 -171.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.666 HG23 ' HB2' ' A' ' 44' ' ' ALA . 10.2 m -111.27 111.35 22.35 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 171.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.592 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -167.19 165.23 38.46 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 119.429 -1.367 . . . . 0.0 113.552 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.8 t -110.28 144.66 38.65 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.512 -0.344 . . . . 0.0 110.484 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.525 ' HZ2' ' HB3' ' A' ' 64' ' ' LEU . 29.8 t-105 -114.02 136.22 53.15 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.768 177.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 35.4 p -138.2 135.49 35.67 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.642 0.258 . . . . 0.0 110.514 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.446 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.1 ttt -107.43 113.41 26.74 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 174.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.546 ' O ' ' HE3' ' A' ' 63' ' ' LYS . 56.0 mm-40 -103.53 104.67 14.76 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 177.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 63.95 -118.5 13.34 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.389 -0.91 . . . . 0.0 111.105 -173.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -107.34 40.32 1.71 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.036 0.446 . . . . 0.0 110.315 173.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.614 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -120.85 131.22 54.29 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.892 176.205 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.525 ' HB3' ' HZ2' ' A' ' 57' ' ' TRP . 71.1 mt -110.72 111.92 23.44 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.902 -177.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.451 ' HA ' HG12 ' A' ' 80' ' ' VAL . 77.2 t -132.81 123.19 48.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.79 -174.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.512 ' HA3' ' CE3' ' A' ' 57' ' ' TRP . . . -142.04 122.0 1.92 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 177.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.466 ' HA ' HG12 ' A' ' 78' ' ' ILE . 86.7 tttt -105.92 104.73 14.5 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -178.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.618 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 7.1 m-85 -114.9 148.5 38.56 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.572 -175.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.556 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 9.5 ttpp -103.73 114.69 29.14 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.456 179.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.678 ' HD2' ' H ' ' A' ' 74' ' ' GLY . 0.0 OUTLIER -85.72 71.21 10.72 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 174.773 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.3 p -54.48 -24.79 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.3 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.52 -173.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.552 ' HB3' ' HD3' ' A' ' 70' ' ' ARG . 16.3 t70 -57.43 -31.18 65.63 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.791 179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -171.06 -39.15 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 -176.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.678 ' H ' ' HD2' ' A' ' 70' ' ' ARG . . . -83.59 -23.27 54.12 Favored Glycine 0 CA--C 1.507 -0.409 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.966 -169.259 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HG3' ' HG3' ' A' ' 76' ' ' GLU . 17.5 tppt? 73.84 -43.59 0.55 Allowed 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 123.446 0.698 . . . . 0.0 112.081 -177.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.517 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 51.9 mt-10 -150.87 109.25 3.78 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.082 -0.386 . . . . 0.0 110.9 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.745 HD23 HD21 ' A' ' 53' ' ' LEU . 58.5 tp -116.32 104.87 11.92 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.491 173.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.481 HG22 HG13 ' A' ' 80' ' ' VAL . 68.8 mt -108.57 124.23 64.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.454 -174.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.403 ' HB3' ' HZ3' ' A' ' 57' ' ' TRP . . . -104.06 124.82 49.74 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 174.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.481 HG13 HG22 ' A' ' 78' ' ' ILE . 2.2 m -145.06 130.64 13.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.405 -172.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.745 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 22.7 tpt180 -166.65 151.94 7.95 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 172.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.614 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 21.7 pt-20 -103.68 163.47 12.3 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.169 172.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.2 mm -102.05 125.21 56.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.646 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 13.0 m -103.44 108.73 20.09 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 109.704 -0.48 . . . . 0.0 109.704 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.95 -119.85 18.8 Favored Glycine 0 C--N 1.333 0.401 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -171.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -123.15 95.97 4.82 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.377 -0.929 . . . . 0.0 109.247 165.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.646 ' HG2' ' O ' ' A' ' 84' ' ' SER . 16.6 pt-20 -170.21 148.92 3.38 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.351 -1.352 . . . . 0.0 107.351 174.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 25.6 tp -122.38 123.56 41.65 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 119.564 -0.855 . . . . 0.0 111.675 -178.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.745 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 3.7 mp -104.67 155.92 6.01 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 167.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.446 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 3.8 tp-100 -135.19 115.72 13.68 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 118.823 0.738 . . . . 0.0 110.56 -178.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.558 HG23 ' HB3' ' A' ' 100' ' ' LYS . 1.3 m -106.17 127.89 53.53 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.898 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.551 ' HD2' HD11 ' A' ' 77' ' ' LEU . 7.4 m-85 -104.0 114.61 28.98 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.175 170.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.5 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 25.6 m -99.26 103.47 15.32 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 108.339 -0.986 . . . . 0.0 108.339 174.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.517 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 0.8 OUTLIER -111.5 122.35 47.61 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.682 -171.182 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 67.91 -62.83 0.34 Allowed 'General case' 0 CA--C 1.534 0.33 0 O-C-N 123.978 0.799 . . . . 0.0 111.049 -177.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.16 25.98 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.278 -0.487 . . . . 0.0 112.065 176.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.5 ' O ' ' HA ' ' A' ' 93' ' ' THR . 15.6 m -133.01 139.57 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.67 0.272 . . . . 0.0 110.608 178.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.2 134.14 49.8 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.164 0.506 . . . . 0.0 111.348 -177.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -136.15 129.67 32.1 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.558 ' HB3' HG23 ' A' ' 91' ' ' THR . 53.4 pttt -132.8 142.1 48.81 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.387 0.613 . . . . 0.0 112.173 -172.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 19.7 tpp180 -120.0 143.11 48.23 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.804 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.537 HG13 HG13 ' A' ' 89' ' ' ILE . 13.9 tt -101.98 134.2 43.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.537 0.684 . . . . 0.0 111.869 -173.39 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.437 ' HB3' ' HA ' ' A' ' 7' ' ' LYS . 19.0 m-85 -135.18 166.76 22.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.982 -1.008 . . . . 0.0 108.776 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.84 157.55 44.75 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.695 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -67.73 117.16 9.28 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.642 -0.694 . . . . 0.0 110.62 -177.583 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.782 ' HA ' ' CD1' ' A' ' 6' ' ' TRP . . . . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 119.222 -0.418 . . . . 0.0 109.894 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.557 ' HB3' ' NE2' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -152.42 122.93 7.29 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 118.358 0.526 . . . . 0.0 110.436 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.0 t70 51.26 30.31 5.75 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.809 -172.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.82 167.77 40.63 Favored Glycine 0 N--CA 1.437 -1.254 0 CA-C-N 114.188 -1.369 . . . . 0.0 110.892 -173.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.627 HG22 ' OG1' ' A' ' 14' ' ' THR . 82.7 p -100.96 123.43 45.14 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 174.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.782 ' CD1' ' HA ' ' A' ' 1' ' ' ALA . 3.1 m0 -128.46 104.09 7.5 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 -179.248 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.922 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 10.1 tptm -166.64 169.49 13.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.149 0.499 . . . . 0.0 111.441 -177.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 45.5 t -99.83 146.5 8.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.182 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -41.31 132.49 3.44 Favored Glycine 0 C--N 1.336 0.559 0 O-C-N 123.781 0.676 . . . . 0.0 114.186 -172.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.79 -34.71 5.14 Favored Glycine 0 N--CA 1.451 -0.349 0 N-CA-C 111.779 -0.528 . . . . 0.0 111.779 -176.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.849 HD22 ' HA ' ' A' ' 28' ' ' SER . 25.2 mt -104.9 165.69 10.9 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -143.77 148.9 36.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.606 178.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.922 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 1.2 tt -154.91 123.26 5.98 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -179.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.627 ' OG1' HG22 ' A' ' 5' ' ' THR . 8.7 m -142.3 135.93 29.23 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.45 -177.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.544 HG12 ' HA ' ' A' ' 24' ' ' VAL . 36.4 mt -129.47 127.86 65.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 175.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 64.0 m -113.34 132.06 55.73 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 173.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.557 ' NE2' ' HB3' ' A' ' 2' ' ' PHE . 3.8 pm0 -130.96 147.73 52.63 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.672 -170.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.4 pt-20 -135.51 95.53 3.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.057 0.456 . . . . 0.0 110.363 178.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.14 -68.89 1.67 Allowed Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.45 -174.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.488 ' HB2' HD23 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -162.11 97.52 1.03 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.929 0.871 . . . . 0.0 109.24 168.533 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.428 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 29.6 ttpt -169.55 104.82 0.35 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.471 ' CD1' HD21 ' A' ' 39' ' ' LEU . 3.9 m-85 -107.47 136.07 47.87 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 120.392 -0.523 . . . . 0.0 111.511 -172.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.486 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 14.8 t -129.43 129.15 44.3 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 173.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.663 ' O ' ' HA ' ' A' ' 34' ' ' ASP . 57.7 t -103.89 126.88 58.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.68 -171.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.724 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 52.0 tttp -101.8 102.97 13.66 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 172.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 tp10 -112.99 137.06 51.96 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.336 0.589 . . . . 0.0 111.055 -172.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 15.5 m -151.77 117.92 5.57 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.183 -0.917 . . . . 0.0 108.965 178.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.849 ' HA ' HD22 ' A' ' 11' ' ' LEU . 70.9 m -153.68 144.38 22.57 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 -177.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.6 m120 65.21 -77.46 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 O-C-N 123.96 0.788 . . . . 0.0 110.933 -176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -171.71 58.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.125 0.488 . . . . 0.0 111.039 175.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.446 ' HD2' ' O ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -157.47 138.35 13.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.777 173.328 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -118.41 134.11 55.33 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.554 -177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.3 tp -159.71 146.66 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.642 0.258 . . . . 0.0 111.06 -175.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.663 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 24.5 p-10 -120.41 141.08 50.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.091 0.472 . . . . 0.0 110.776 177.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 15.1 t -128.68 112.41 26.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.097 179.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.486 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 9.9 p -103.6 134.32 45.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.884 0.373 . . . . 0.0 110.5 179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 12.0 p90 -153.99 150.17 27.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.865 -174.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.555 ' HB3' HG21 ' A' ' 41' ' ' VAL . 67.9 tt0 -103.24 141.43 35.91 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.488 HD23 ' HB2' ' A' ' 20' ' ' ASN . 3.9 mm? -62.55 126.56 27.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.198 0.523 . . . . 0.0 111.429 -173.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.89 30.28 61.72 Favored Glycine 0 N--CA 1.447 -0.593 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.596 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.555 HG21 ' HB3' ' A' ' 38' ' ' GLU . 88.9 t -119.26 139.0 48.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 122.621 -0.341 . . . . 0.0 110.528 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -102.77 137.96 40.29 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 177.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 45.8 p90 -161.78 153.28 18.68 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.846 0.355 . . . . 0.0 111.019 -173.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -103.42 129.67 50.58 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -140.42 136.62 33.25 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.086 -173.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' A' ' 51' ' ' THR . 29.1 t -103.99 130.0 51.62 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.175 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.666 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 88.3 mt -117.0 135.1 53.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.623 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 55.73 29.93 14.71 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.43 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 50.93 40.43 25.14 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.265 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -154.88 -55.88 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.285 -0.96 . . . . 0.0 113.219 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.666 ' OG1' ' HB2' ' A' ' 47' ' ' LEU . 12.2 p -76.81 132.6 39.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 117.378 0.589 . . . . 0.0 109.759 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -124.05 97.54 5.39 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.559 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 9.3 mp -104.01 128.95 51.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.531 179.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 m -118.71 111.14 18.12 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.95 165.31 38.45 Favored Glycine 0 N--CA 1.44 -1.034 0 C-N-CA 119.023 -1.56 . . . . 0.0 114.086 -174.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 t -104.67 143.64 32.8 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.278 -0.461 . . . . 0.0 109.832 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.484 ' CZ2' ' HB3' ' A' ' 64' ' ' LEU . 67.9 t-105 -123.55 137.87 54.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.757 -0.201 . . . . 0.0 110.933 -177.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.5 p -137.32 148.2 46.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.77 0.319 . . . . 0.0 110.85 177.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.607 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.9 ttt -133.7 113.0 11.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.449 174.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -103.53 104.77 14.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.161 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.04 -79.52 0.1 Allowed Glycine 0 C--N 1.331 0.277 0 O-C-N 123.437 0.46 . . . . 0.0 112.608 -179.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.494 ' HB2' ' HB ' ' A' ' 83' ' ' ILE . 10.9 p30 -144.5 41.12 1.34 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.51 0.671 . . . . 0.0 109.415 176.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.607 ' O ' ' HA ' ' A' ' 59' ' ' MET . 27.0 mmtp -124.93 117.12 23.36 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.953 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.484 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 75.3 mt -103.81 105.61 15.88 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.287 -178.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.421 HG22 HG13 ' A' ' 80' ' ' VAL . 24.9 t -142.78 142.05 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.528 -172.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -170.02 -147.8 5.66 Favored Glycine 0 N--CA 1.444 -0.79 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 175.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.446 ' HA ' HG12 ' A' ' 78' ' ' ILE . 34.8 ttmt -166.05 117.7 1.05 Allowed 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.464 ' HA ' ' HA3' ' A' ' 55' ' ' GLY . 9.3 m-85 -120.61 140.2 51.88 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.113 0.482 . . . . 0.0 110.575 -177.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.744 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 53.3 tttm -104.59 113.21 26.63 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.217 -175.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.562 ' HG3' ' HB3' ' A' ' 73' ' ' ASN . 13.4 tpt180 -95.91 74.72 3.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.648 -178.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 p -62.97 -38.9 83.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.933 -172.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -80.31 36.56 0.36 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.898 0.38 . . . . 0.0 111.709 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.562 ' HB3' ' HG3' ' A' ' 70' ' ' ARG . 54.4 t30 -166.16 -43.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.922 0.391 . . . . 0.0 110.345 176.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.03 -90.62 0.08 OUTLIER Glycine 0 N--CA 1.442 -0.923 0 C-N-CA 120.662 -0.78 . . . . 0.0 111.635 177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.744 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 61.1 pttt -170.62 -28.12 0.02 OUTLIER 'General case' 0 C--O 1.218 -0.584 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 176.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.502 ' O ' ' HA ' ' A' ' 94' ' ' TYR . 40.6 mt-10 -145.53 115.19 7.26 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.068 -0.653 . . . . 0.0 111.704 -172.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.537 HD13 ' HB2' ' A' ' 94' ' ' TYR . 64.5 tp -132.28 105.07 7.09 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.047 173.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.446 HG12 ' HA ' ' A' ' 67' ' ' LYS . 51.5 mt -114.79 139.31 41.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.137 -171.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.544 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -107.23 127.77 53.83 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 173.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.421 HG13 HG22 ' A' ' 65' ' ' VAL . 89.8 t -140.74 128.18 22.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -178.555 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.737 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 22.0 tpt180 -166.38 147.38 6.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.037 0.446 . . . . 0.0 112.107 177.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.446 ' CB ' ' HD3' ' A' ' 63' ' ' LYS . 5.9 pm0 -104.59 150.15 24.9 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.354 173.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.494 ' HB ' ' HB2' ' A' ' 62' ' ' ASN . 4.7 mp -103.37 116.1 46.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.478 ' O ' ' HG3' ' A' ' 87' ' ' GLU . 8.0 m -104.69 126.75 52.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.153 -179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.98 -120.42 21.59 Favored Glycine 0 C--N 1.334 0.442 0 N-CA-C 110.854 -0.898 . . . . 0.0 110.854 -175.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -129.38 97.84 4.69 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 122.057 0.932 . . . . 0.0 110.304 166.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 84' ' ' SER . 2.2 pp20? -170.57 166.57 8.2 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.34 -1.3 . . . . 0.0 107.632 175.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.589 HD22 ' N ' ' A' ' 1' ' ' ALA . 17.0 tp -147.07 123.21 10.82 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 119.832 -0.747 . . . . 0.0 111.807 179.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.737 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 54.0 mt -103.38 159.67 4.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.967 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 168.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -136.53 121.47 18.8 Favored 'General case' 0 C--N 1.314 -0.972 0 O-C-N 121.757 -0.589 . . . . 0.0 110.723 -175.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.833 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -110.1 125.97 53.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.78 179.746 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 66.9 m-85 -104.72 113.3 26.79 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 170.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 98' ' ' GLU . 10.7 m -103.32 103.56 13.58 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.643 179.426 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.537 ' HB2' HD13 ' A' ' 77' ' ' LEU . 23.3 t80 -108.4 122.88 47.92 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.226 177.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 20.7 tt0 53.15 48.0 23.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.951 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.87 -11.47 53.51 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.86 -0.686 . . . . 0.0 113.802 177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.1 t -102.82 119.02 50.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 117.538 0.669 . . . . 0.0 110.509 -178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.54 ' HA ' ' HA ' ' A' ' 93' ' ' THR . 15.5 pt-20 -104.96 134.54 47.9 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.347 0.594 . . . . 0.0 111.383 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -132.24 136.06 46.72 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.833 ' HB3' HG23 ' A' ' 91' ' ' THR . 21.9 pttm -136.63 142.81 43.28 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.51 0.672 . . . . 0.0 112.519 -173.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -121.02 149.58 42.46 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.391 175.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.47 HG12 HG12 ' A' ' 89' ' ' ILE . 0.0 OUTLIER -100.96 134.32 41.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.42 0.628 . . . . 0.0 111.39 -172.454 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -131.06 166.4 21.12 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.791 178.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.98 165.3 30.26 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.874 -0.331 . . . . 0.0 111.714 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.2 tptp -58.2 127.92 34.55 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.194 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.582 -0.723 . . . . 0.0 110.134 179.655 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.108 -0.33 . . . . 0.0 110.108 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -103.89 -105.39 0.29 Allowed 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.288 -0.165 . . . . 0.0 110.593 179.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 t0 61.82 53.1 3.24 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.569 0.7 . . . . 0.0 109.786 -176.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.02 167.56 39.31 Favored Glycine 0 N--CA 1.442 -0.911 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.734 -174.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 39.0 p -101.14 123.54 45.45 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 177.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.421 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 13.3 m0 -116.22 103.52 10.6 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.708 -176.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.673 ' HE2' ' HB2' ' A' ' 11' ' ' LEU . 6.6 mmmt -166.08 170.32 13.61 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.989 0.9 . . . . 0.0 113.219 -179.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.647 HG22 ' HE3' ' A' ' 104' ' ' LYS . 49.4 t -99.27 143.03 14.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 113.563 -1.653 . . . . 0.0 108.023 172.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -44.87 126.06 6.75 Favored Glycine 0 C--N 1.331 0.295 0 O-C-N 123.682 0.614 . . . . 0.0 113.207 -175.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.69 -49.84 0.9 Allowed Glycine 0 N--CA 1.443 -0.863 0 C-N-CA 121.154 -0.546 . . . . 0.0 111.759 -176.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.673 ' HB2' ' HE2' ' A' ' 7' ' ' LYS . 0.9 OUTLIER -108.72 165.02 11.87 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.165 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -133.04 136.06 45.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.351 0.596 . . . . 0.0 110.864 175.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.711 HD21 HG13 ' A' ' 24' ' ' VAL . 4.5 tt -132.84 131.69 41.3 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 107.542 -1.281 . . . . 0.0 107.542 177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.532 ' N ' HD23 ' A' ' 13' ' ' LEU . 6.5 m -135.82 125.84 26.03 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 120.983 0.42 . . . . 0.0 110.855 -174.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.532 HG12 ' HA ' ' A' ' 24' ' ' VAL . 65.5 mt -126.04 119.32 54.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 177.028 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 m -131.32 129.49 41.51 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -178.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.46 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.6 pm0 -112.58 134.89 53.87 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.309 0.576 . . . . 0.0 110.954 -179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -107.67 90.56 3.34 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.007 175.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 77.97 -106.59 2.31 Favored Glycine 0 N--CA 1.444 -0.824 0 N-CA-C 110.178 -1.169 . . . . 0.0 110.178 -168.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -124.32 98.55 5.8 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 169.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 37.7 tttm -169.8 105.21 0.34 Allowed 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -104.86 148.01 27.12 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.357 0.599 . . . . 0.0 111.392 -171.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.498 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 14.6 t -155.77 130.4 9.07 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.367 177.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.711 HG13 HD21 ' A' ' 13' ' ' LEU . 95.7 t -104.71 122.3 57.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.608 -0.723 . . . . 0.0 109.877 -175.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.705 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 79.3 tttt -101.98 103.7 14.34 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -104.49 132.99 50.11 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.969 0.414 . . . . 0.0 110.356 -176.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.556 ' O ' ' HB3' ' A' ' 11' ' ' LEU . 5.8 m -139.66 138.79 36.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.416 -178.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.557 ' HA ' HD22 ' A' ' 11' ' ' LEU . 65.9 m -160.07 131.35 5.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.428 0.156 . . . . 0.0 110.959 -179.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.9 m120 68.4 -64.42 0.3 Allowed 'General case' 0 N--CA 1.467 0.39 0 O-C-N 123.974 0.796 . . . . 0.0 112.707 175.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -170.7 56.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.298 0.571 . . . . 0.0 110.135 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.545 ' HG2' ' O ' ' A' ' 28' ' ' SER . 24.3 ptt85 -166.03 165.09 18.15 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.203 -177.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.95 138.56 14.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.62 177.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.783 HD11 ' HB3' ' A' ' 47' ' ' LEU . 10.9 tt -155.13 133.35 2.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.564 -174.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.547 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 29.8 p-10 -106.09 137.85 43.3 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.475 0.655 . . . . 0.0 111.775 -178.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.498 ' O ' ' HA ' ' A' ' 23' ' ' THR . 40.9 t -107.1 113.61 43.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.212 -0.904 . . . . 0.0 108.607 173.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 12.9 p -103.91 133.78 46.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 C-N-CA 120.913 -0.315 . . . . 0.0 110.602 -176.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.672 ' HB2' ' CZ3' ' A' ' 57' ' ' TRP . 0.0 OUTLIER -164.58 132.51 3.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.332 0.587 . . . . 0.0 111.203 -176.097 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 80.3 mt-10 -104.7 137.84 41.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.945 -179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.676 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.9 mp -49.98 120.8 4.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.206 -171.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.11 36.28 90.15 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.952 -0.642 . . . . 0.0 112.688 177.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.9 t -130.3 145.22 35.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.452 ' HB3' ' HB ' ' A' ' 56' ' ' THR . 32.3 p-10 -100.4 143.99 29.94 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.076 0.465 . . . . 0.0 109.801 -179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 54' ' ' THR . 22.1 p90 -148.77 149.04 30.7 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.875 -169.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.74 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -136.95 122.95 20.23 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.437 -178.087 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.4 p90 -166.36 163.81 17.47 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.914 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.484 ' HB3' ' HG2' ' A' ' 52' ' ' GLU . 75.2 p -103.96 127.37 51.5 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.056 177.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.783 ' HB3' HD11 ' A' ' 33' ' ' ILE . 53.9 mt -103.62 126.51 50.81 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.412 178.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 53.28 31.87 12.54 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 124.025 0.828 . . . . 0.0 111.61 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 t0 49.15 44.12 22.89 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.785 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -146.44 -57.04 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 120.349 -0.929 . . . . 0.0 112.379 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.533 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 58.4 p -95.69 123.48 39.27 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.557 -0.378 . . . . 0.0 110.098 178.192 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.484 ' HG2' ' HB3' ' A' ' 46' ' ' SER . 46.1 mt-10 -118.89 90.73 3.39 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 175.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.758 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 9.5 mp -103.24 120.36 40.59 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.203 0.525 . . . . 0.0 111.189 -173.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.74 HG23 ' HB2' ' A' ' 44' ' ' ALA . 10.6 m -104.17 111.58 24.23 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.342 172.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.557 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -165.98 166.74 38.84 Favored Glycine 0 N--CA 1.437 -1.296 0 C-N-CA 118.664 -1.731 . . . . 0.0 114.076 -172.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.452 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 0.6 OUTLIER -136.75 136.85 39.29 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.03 -0.585 . . . . 0.0 109.547 177.578 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.74 ' HA ' ' HA3' ' A' ' 66' ' ' GLY . 0.1 OUTLIER -128.45 157.75 40.25 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 175.525 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 77.1 p -120.68 141.49 50.36 Favored 'General case' 0 C--N 1.311 -1.084 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.155 178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.654 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.4 ttt -111.03 118.17 35.32 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.354 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -139.72 123.45 17.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.647 178.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 58.28 44.51 94.99 Favored Glycine 0 N--CA 1.451 -0.308 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.942 178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.7 m120 64.63 44.6 3.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.26 0.552 . . . . 0.0 110.734 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.654 ' O ' ' HA ' ' A' ' 59' ' ' MET . 0.7 OUTLIER -132.49 131.85 42.07 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.527 175.055 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.534 HD22 ' HE1' ' A' ' 57' ' ' TRP . 37.5 mt -114.7 103.23 10.78 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.414 -177.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.688 HG22 HG13 ' A' ' 80' ' ' VAL . 44.9 t -145.55 120.86 3.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.65 0.262 . . . . 0.0 111.283 -175.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.74 ' HA3' ' HA ' ' A' ' 57' ' ' TRP . . . -143.05 -136.55 3.19 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.839 -0.695 . . . . 0.0 112.734 176.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.537 ' C ' ' HD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -160.75 116.49 2.25 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 -178.512 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.77 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 0.9 OUTLIER -123.89 142.6 50.99 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -174.103 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.758 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 3.6 ttmp? -106.8 125.44 51.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.942 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.665 ' HD2' ' HB3' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -116.95 80.29 1.46 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.081 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -64.12 -33.5 62.77 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.437 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.432 ' HB3' ' HE ' ' A' ' 70' ' ' ARG . 0.7 OUTLIER -57.5 -38.02 73.93 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.553 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.665 ' HB3' ' HD2' ' A' ' 70' ' ' ARG . 48.7 t30 -106.6 -37.05 6.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.038 -178.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -154.32 -105.85 0.26 Allowed Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.15 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.599 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 26.9 ttpp -152.85 -30.61 0.14 Allowed 'General case' 0 C--N 1.322 -0.603 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.492 -176.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.456 ' O ' ' HD1' ' A' ' 94' ' ' TYR . 46.5 mt-10 -144.41 120.58 10.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.947 0.403 . . . . 0.0 111.532 -175.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.77 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 64.0 tp -135.39 103.99 5.69 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 19.8 mt -103.25 142.71 16.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.449 -166.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -102.25 117.15 34.15 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 175.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.688 HG13 HG22 ' A' ' 65' ' ' VAL . 96.1 t -136.91 125.94 36.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.26 -177.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.731 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 17.0 tpt180 -166.36 150.66 7.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.091 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.643 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 16.9 pt-20 -119.12 149.86 41.0 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 171.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.529 HG13 HD13 ' A' ' 88' ' ' LEU . 4.7 mp -102.43 124.71 56.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 -176.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 23.1 t -118.47 130.91 56.21 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.898 -0.408 . . . . 0.0 109.898 178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 59.7 -127.04 43.6 Favored Glycine 0 C--N 1.333 0.386 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -175.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 70.5 m-80 -125.02 95.23 4.42 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.481 168.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 83' ' ' ILE . 26.9 pt-20 -171.62 166.39 6.7 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 175.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.529 HD13 HG13 ' A' ' 83' ' ' ILE . 54.9 tp -152.14 128.49 10.6 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 119.958 -0.697 . . . . 0.0 111.799 178.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.731 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 17.0 mm -102.96 164.24 3.38 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 170.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -141.03 107.92 5.41 Favored 'General case' 0 C--N 1.308 -1.206 0 O-C-N 121.95 -0.469 . . . . 0.0 110.072 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.845 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -104.76 128.13 52.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.541 -175.297 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.745 ' HB3' HD11 ' A' ' 77' ' ' LEU . 22.9 m-85 -103.85 111.76 24.43 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.459 170.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 98' ' ' GLU . 10.3 m -102.99 106.34 16.84 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 120.996 0.427 . . . . 0.0 110.017 -178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.716 ' HB2' HD13 ' A' ' 77' ' ' LEU . 32.0 t80 -103.59 124.55 49.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.208 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 64.32 -72.06 0.06 Allowed 'General case' 0 CA--C 1.535 0.379 0 O-C-N 124.07 0.856 . . . . 0.0 111.542 179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -160.68 24.59 0.26 Allowed Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 111.956 -0.458 . . . . 0.0 111.956 176.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 17.0 m -133.08 141.69 44.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.746 -0.464 . . . . 0.0 109.746 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.618 ' HB2' HG22 ' A' ' 91' ' ' THR . 11.3 pt-20 -118.91 126.04 50.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.512 0.672 . . . . 0.0 111.877 -175.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -108.29 133.63 52.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 173.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.845 ' HB3' HG23 ' A' ' 91' ' ' THR . 13.1 ptpt -128.22 139.41 52.47 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.746 0.784 . . . . 0.0 112.695 -172.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.401 ' HG2' ' CZ ' ' A' ' 103' ' ' PHE . 8.2 tpt180 -105.46 139.32 40.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.458 175.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.421 HG23 ' CD1' ' A' ' 89' ' ' ILE . 68.2 mt -103.54 133.67 46.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.884 0.373 . . . . 0.0 111.575 -173.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.451 ' CD1' ' HD3' ' A' ' 7' ' ' LYS . 68.1 m-85 -139.04 161.78 36.54 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.39 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.647 ' HE3' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -153.06 153.08 32.13 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.541 ' HD3' ' N ' ' A' ' 106' ' ' GLU . 7.6 tmtt? -60.69 127.17 30.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.617 0.246 . . . . 0.0 110.693 -177.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.541 ' N ' ' HD3' ' A' ' 105' ' ' LYS . 30.7 tt0 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.595 -0.716 . . . . 0.0 110.052 176.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.964 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -73.06 -111.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.372 -178.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 48.5 t0 60.67 56.21 3.08 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.355 0.597 . . . . 0.0 109.391 -173.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.74 167.43 36.5 Favored Glycine 0 N--CA 1.441 -0.967 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.712 -173.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.445 HG22 ' OG1' ' A' ' 14' ' ' THR . 13.0 p -100.86 128.39 46.92 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.146 0.498 . . . . 0.0 110.607 -178.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.423 ' HD1' ' C ' ' A' ' 5' ' ' THR . 12.2 m0 -127.63 103.82 7.53 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.094 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 22.0 tptt -166.19 166.88 16.65 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.77 HG22 ' HE3' ' A' ' 104' ' ' LYS . 35.9 t -103.52 142.25 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 113.644 -1.617 . . . . 0.0 108.409 170.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.1 141.45 20.53 Favored Glycine 0 CA--C 1.523 0.543 0 C-N-CA 121.667 -0.301 . . . . 0.0 113.679 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.18 -33.9 5.21 Favored Glycine 0 C--N 1.331 0.29 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -177.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.9 HD12 ' HE3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -138.4 164.78 28.47 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 176.406 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.567 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 20.5 ptmt -140.05 150.99 45.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 118.594 0.634 . . . . 0.0 111.255 -177.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.094 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 1.4 tt -142.89 133.26 24.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.748 -176.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.445 ' OG1' HG22 ' A' ' 5' ' ' THR . 8.8 m -136.14 130.11 32.79 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.79 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.9 mt -124.48 125.69 70.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.0 m -135.92 146.97 47.9 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 -177.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.506 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 2.8 pp0? -130.23 165.09 23.12 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.211 0.529 . . . . 0.0 111.453 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -147.15 78.3 1.48 Allowed 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.994 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.69 -103.38 2.83 Favored Glycine 0 N--CA 1.446 -0.645 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 -167.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.42 ' HB3' HD13 ' A' ' 39' ' ' LEU . 79.1 m-20 -131.78 96.32 3.92 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 164.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 1.9 ttmp? -169.4 106.53 0.39 Allowed 'General case' 0 C--N 1.315 -0.902 0 N-CA-C 106.811 -1.551 . . . . 0.0 106.811 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.548 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 7.8 m-85 -108.04 130.69 55.06 Favored 'General case' 0 C--N 1.312 -1.023 0 C-N-CA 120.077 -0.649 . . . . 0.0 111.067 -172.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.0 t -113.48 139.89 48.57 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 173.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.602 HG13 HD21 ' A' ' 13' ' ' LEU . 56.8 t -121.4 127.74 75.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.01 -173.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.841 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 17.3 tttm -103.06 104.38 14.55 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 178.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.44 166.68 10.28 Favored 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 108.072 -1.084 . . . . 0.0 108.072 174.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.982 ' HB3' ' HA ' ' A' ' 31' ' ' ARG . 71.1 m -156.58 114.08 3.2 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.067 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.504 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 18.9 m -148.25 103.58 3.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.866 -0.607 . . . . 0.0 109.594 176.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.504 ' HB2' ' O ' ' A' ' 28' ' ' SER . 0.7 OUTLIER 163.56 -72.09 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 105.515 -2.031 . . . . 0.0 105.515 -177.346 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.413 ' C ' ' HD2' ' A' ' 31' ' ' ARG . 60.9 m-85 -125.92 -57.98 1.41 Allowed 'General case' 0 N--CA 1.429 -1.476 0 N-CA-C 103.876 -2.638 . . . . 0.0 103.876 157.622 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.982 ' HA ' ' HB3' ' A' ' 27' ' ' SER . 0.0 OUTLIER -170.41 99.92 0.26 Allowed 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 113.072 -1.876 . . . . 0.0 109.697 166.769 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.629 ' O ' HG12 ' A' ' 33' ' ' ILE . 53.1 t30 -170.84 108.66 0.31 Allowed 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 178.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.629 HG12 ' O ' ' A' ' 32' ' ' ASN . 2.3 mm -168.81 145.52 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.735 171.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -144.79 136.22 25.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.533 0.683 . . . . 0.0 111.285 172.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.482 HG12 ' HD2' ' A' ' 37' ' ' PHE . 58.8 t -127.79 116.63 43.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.122 -0.945 . . . . 0.0 109.183 178.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.7 p -112.1 132.9 59.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 120.678 0.275 . . . . 0.0 110.409 179.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 22' ' ' PHE . 27.7 p90 -153.52 145.5 23.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.546 0.689 . . . . 0.0 111.787 -175.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.553 ' HB2' HG21 ' A' ' 41' ' ' VAL . 46.2 mt-10 -104.47 145.2 30.62 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.108 -0.951 . . . . 0.0 108.675 174.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.42 HD13 ' HB3' ' A' ' 20' ' ' ASN . 10.3 mp -62.75 121.74 14.18 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.938 0.399 . . . . 0.0 110.809 -177.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.99 39.54 45.86 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.563 -0.744 . . . . 0.0 112.682 -178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.553 HG21 ' HB2' ' A' ' 38' ' ' GLU . 55.3 t -130.96 138.66 53.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.888 0.375 . . . . 0.0 110.88 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -101.54 137.29 40.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.697 179.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 32.3 p90 -155.36 165.21 37.32 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.232 -174.279 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.711 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -146.99 130.99 17.2 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.276 -177.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.9 p90 -165.63 168.81 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.774 175.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.2 t -99.86 126.36 45.97 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.515 0.674 . . . . 0.0 110.08 -177.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.8 mt -104.39 138.75 40.34 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.164 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.401 ' HB2' HD11 ' A' ' 33' ' ' ILE . . . 68.97 -68.22 0.19 Allowed 'General case' 0 C--O 1.234 0.264 0 O-C-N 124.452 1.095 . . . . 0.0 111.343 -178.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.0 t70 176.26 20.77 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.122 178.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.0 -70.67 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 119.166 -1.493 . . . . 0.0 114.293 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.689 ' HA ' ' CZ ' ' A' ' 70' ' ' ARG . 80.7 p -58.55 122.06 12.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 117.169 0.484 . . . . 0.0 111.831 -172.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -114.38 91.01 3.48 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 175.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.716 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 11.2 mp -100.88 123.44 45.07 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-O 121.353 0.597 . . . . 0.0 111.41 -172.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.711 HG23 ' HB2' ' A' ' 44' ' ' ALA . 8.2 m -104.59 111.31 23.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.145 175.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.419 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.02 165.43 38.11 Favored Glycine 0 N--CA 1.439 -1.14 0 C-N-CA 119.092 -1.528 . . . . 0.0 113.84 -175.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 8.2 t -103.42 146.37 28.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.291 -0.455 . . . . 0.0 110.046 177.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.593 ' HZ2' ' HB3' ' A' ' 64' ' ' LEU . 35.2 t-105 -124.42 137.09 54.48 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.461 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.6 p -131.9 143.45 50.15 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.326 176.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.478 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 26.4 ttt -128.07 107.53 9.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.037 0.446 . . . . 0.0 110.267 177.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.6 mt-10 -104.45 104.62 14.51 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.547 -177.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.58 -83.48 0.28 Allowed Glycine 0 C--N 1.332 0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 112.681 -178.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.484 ' HB2' ' HB ' ' A' ' 83' ' ' ILE . 17.2 p30 -145.87 39.93 1.15 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.714 0.768 . . . . 0.0 109.121 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.478 ' O ' ' HA ' ' A' ' 59' ' ' MET . 12.6 mptt -125.82 126.21 44.14 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.372 178.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.593 ' HB3' ' HZ2' ' A' ' 57' ' ' TRP . 63.7 mt -107.16 109.58 21.44 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.744 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.575 ' HA ' HG22 ' A' ' 80' ' ' VAL . 65.9 t -135.44 140.67 44.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.664 -174.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -162.5 -160.19 10.93 Favored Glycine 0 N--CA 1.442 -0.936 0 C-N-CA 120.663 -0.78 . . . . 0.0 111.598 176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 25.2 ttpp -165.07 113.19 1.02 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 177.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.687 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 5.1 m-85 -119.87 149.81 41.48 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.935 0.398 . . . . 0.0 111.096 -174.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.716 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 36.3 ttmt -103.67 127.05 51.17 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.941 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.728 ' HG3' ' HB3' ' A' ' 73' ' ' ASN . 22.7 tpt180 -123.0 85.13 2.37 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.107 -177.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.7 p -60.86 -38.71 79.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.456 -0.793 . . . . 0.0 112.268 -170.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.684 ' HB3' ' NH1' ' A' ' 70' ' ' ARG . 27.2 t70 -80.83 45.11 0.78 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.431 0.634 . . . . 0.0 110.979 -179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.728 ' HB3' ' HG3' ' A' ' 70' ' ' ARG . 42.1 t30 -166.36 -51.61 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.886 177.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.626 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . 176.56 38.29 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.812 177.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.476 ' O ' ' HG3' ' A' ' 76' ' ' GLU . 65.6 pttt 43.96 32.06 0.58 Allowed 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.696 1.198 . . . . 0.0 113.455 -177.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 17.3 mt-10 -165.31 142.85 5.92 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 121.019 0.437 . . . . 0.0 111.713 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 40.9 tp -168.58 108.99 0.51 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.49 171.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.498 HG22 HG23 ' A' ' 80' ' ' VAL . 70.9 mt -109.69 129.07 65.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -171.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.604 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -108.02 122.48 46.94 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 173.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.575 HG22 ' HA ' ' A' ' 65' ' ' VAL . 54.9 t -144.9 131.25 15.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -177.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.674 ' HG2' ' HB ' ' A' ' 89' ' ' ILE . 14.6 tpt180 -166.02 150.09 7.91 Favored 'General case' 0 C--O 1.224 -0.243 0 CA-C-O 121.006 0.431 . . . . 0.0 112.033 176.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -105.08 158.42 16.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.78 176.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.484 ' HB ' ' HB2' ' A' ' 62' ' ' ASN . 3.1 mp -103.16 119.98 52.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.717 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.461 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 25.3 t -107.79 122.76 47.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.956 179.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 61.57 -121.13 25.1 Favored Glycine 0 C--N 1.333 0.411 0 N-CA-C 110.358 -1.097 . . . . 0.0 110.358 -173.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.85 95.93 4.35 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.66 0.743 . . . . 0.0 109.205 165.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 84' ' ' SER . 12.0 pt-20 -170.5 150.09 3.39 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 114.437 -1.256 . . . . 0.0 107.649 174.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 38.5 tp -124.35 133.99 53.28 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 120.059 -0.657 . . . . 0.0 111.368 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.674 ' HB ' ' HG2' ' A' ' 81' ' ' ARG . 15.6 mm -113.29 156.53 14.24 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 171.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.509 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 7.9 tt0 -140.77 111.53 6.97 Favored 'General case' 0 C--N 1.314 -0.955 0 C-N-CA 120.616 -0.433 . . . . 0.0 109.999 -178.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.604 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -106.63 131.73 53.44 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.474 -176.158 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -103.23 106.91 17.53 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 172.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 16.9 m -104.43 136.64 43.62 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.594 -176.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.626 ' OH ' ' HA3' ' A' ' 74' ' ' GLY . 52.8 t80 -161.33 135.77 7.11 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.505 -179.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 65.79 -69.48 0.11 Allowed 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.934 0.771 . . . . 0.0 112.293 174.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.29 28.62 0.11 Allowed Glycine 0 N--CA 1.45 -0.422 0 N-CA-C 111.567 -0.613 . . . . 0.0 111.567 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.0 m -139.92 147.92 23.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.768 0.318 . . . . 0.0 110.419 178.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 98' ' ' GLU . 17.9 pt-20 -126.22 126.89 44.79 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.482 -178.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -116.47 114.8 24.73 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.574 ' HB3' HG23 ' A' ' 91' ' ' THR . 17.8 pttm -120.08 136.7 54.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.607 0.718 . . . . 0.0 111.762 -178.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.661 ' HE ' ' HZ ' ' A' ' 103' ' ' PHE . 38.2 ttp180 -106.76 138.21 43.36 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.48 -1.236 . . . . 0.0 108.466 176.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.486 HG13 HD12 ' A' ' 89' ' ' ILE . 3.3 mp -102.03 132.05 48.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 120.897 0.38 . . . . 0.0 111.5 -169.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.661 ' HZ ' ' HE ' ' A' ' 101' ' ' ARG . 5.5 m-85 -136.38 165.65 25.31 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.564 178.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.77 ' HE3' HG22 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -143.75 153.09 42.07 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.735 -0.468 . . . . 0.0 109.735 178.176 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -58.09 133.88 55.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.648 0.261 . . . . 0.0 110.873 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--O 1.246 0.877 0 N-CA-C 109.036 -0.727 . . . . 0.0 109.036 173.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.514 0.197 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 68.8 m-85 -145.47 162.78 36.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.35 178.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -174.71 -65.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.203 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.024 ' HA3' HG23 ' A' ' 14' ' ' THR . . . 175.95 89.96 0.08 OUTLIER Glycine 0 N--CA 1.418 -2.55 0 C-N-CA 116.714 -2.66 . . . . 0.0 114.754 159.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.78 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -176.03 102.26 0.07 Allowed 'General case' 0 N--CA 1.443 -0.777 0 O-C-N 122.103 -0.646 . . . . 0.0 111.248 155.261 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.587 ' CE2' ' HD3' ' A' ' 105' ' ' LYS . 12.2 m95 -140.22 98.45 3.44 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 173.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.87 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 27.2 tptt -168.82 166.66 11.4 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 119.864 -0.735 . . . . 0.0 112.483 -179.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.412 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 28.7 t -103.86 137.77 31.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.043 -0.98 . . . . 0.0 111.497 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 54.22 -134.53 44.97 Favored Glycine 0 N--CA 1.453 -0.205 0 CA-C-N 115.869 -0.605 . . . . 0.0 114.289 171.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -81.59 34.57 2.49 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 121.265 -0.493 . . . . 0.0 113.069 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' HB2' ' CG ' ' A' ' 7' ' ' LYS . 18.5 mt -120.79 143.18 48.97 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 174.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -121.45 141.71 50.74 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.074 0.464 . . . . 0.0 110.794 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.87 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 3.0 tt -141.17 132.58 26.79 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 178.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 1.024 HG23 ' HA3' ' A' ' 4' ' ' GLY . 20.2 m -128.26 129.12 45.9 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.965 -176.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.823 ' H ' ' HA2' ' A' ' 4' ' ' GLY . 57.5 mt -123.99 98.29 5.3 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.501 -177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.7 m -104.3 139.3 39.49 Favored 'General case' 0 C--N 1.315 -0.913 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.284 -173.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.594 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 2.5 pp0? -149.67 144.55 26.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.392 0.615 . . . . 0.0 112.505 179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -99.76 -118.06 0.15 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.141 174.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -68.43 -54.41 16.31 Favored Glycine 0 C--N 1.333 0.416 0 C-N-CA 120.012 -1.09 . . . . 0.0 110.883 173.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -158.72 97.13 1.42 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.644 0.735 . . . . 0.0 109.147 169.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.594 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 35.9 tttm -170.78 115.85 0.46 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.592 -1.185 . . . . 0.0 107.95 176.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.41 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . 7.3 m-85 -113.39 148.05 36.55 Favored 'General case' 0 C--N 1.315 -0.918 0 C-N-CA 120.398 -0.521 . . . . 0.0 111.739 -174.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.497 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 15.3 t -141.13 136.05 31.5 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.342 -0.845 . . . . 0.0 108.861 174.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.793 HG13 HD21 ' A' ' 13' ' ' LEU . 82.1 t -113.5 129.41 69.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.296 -173.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.777 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 34.0 ttmt -101.12 110.14 22.12 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.419 -0.586 . . . . 0.0 109.419 178.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -107.94 132.48 53.45 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 120.928 0.394 . . . . 0.0 111.071 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.538 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 18.8 m -144.34 118.1 9.28 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.424 177.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.446 ' O ' ' HG2' ' A' ' 31' ' ' ARG . 70.5 m -160.51 143.09 13.05 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.139 -177.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.0 m120 67.04 -75.47 0.06 Allowed 'General case' 0 N--CA 1.467 0.423 0 O-C-N 124.015 0.822 . . . . 0.0 111.194 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -167.74 57.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.197 0.522 . . . . 0.0 110.037 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.538 ' O ' ' HA ' ' A' ' 27' ' ' SER . 27.2 ptt180 -162.35 142.08 9.61 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.98 0.419 . . . . 0.0 111.417 -178.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -127.04 129.06 47.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 175.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 12.7 tt -154.68 139.23 9.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.836 0.35 . . . . 0.0 110.566 -175.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.633 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 35.3 m-20 -110.56 133.65 53.11 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.363 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.446 ' O ' ' HA ' ' A' ' 23' ' ' THR . 16.3 t -110.54 110.34 31.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 178.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.5 p -103.62 138.45 28.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.833 -0.347 . . . . 0.0 110.581 -177.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 18.7 p90 -159.35 145.03 16.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.459 0.647 . . . . 0.0 111.215 -176.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.495 ' HB2' HG21 ' A' ' 41' ' ' VAL . 98.4 mt-10 -103.96 148.44 26.19 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.556 177.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.0 mp -62.81 124.44 21.04 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -176.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.36 37.76 58.76 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.733 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 56' ' ' THR . 78.3 t -125.61 135.22 64.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.772 0.286 . . . . 0.0 110.545 178.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.457 ' HB3' ' HB ' ' A' ' 56' ' ' THR . 2.4 p30 -103.99 139.28 39.34 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 178.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 45.0 p90 -162.66 155.17 19.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.829 -172.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.528 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -104.42 137.19 42.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.547 175.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -155.04 142.33 19.48 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.683 0.277 . . . . 0.0 110.55 -175.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.3 t -102.72 128.24 49.52 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.156 -0.474 . . . . 0.0 109.868 178.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.525 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 95.5 mt -112.57 125.83 54.69 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.177 -176.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.85 31.11 15.05 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.38 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 41.2 t0 49.19 49.83 18.98 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.168 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.78 -53.78 0.01 OUTLIER Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.372 -0.918 . . . . 0.0 112.489 -178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.574 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 69.2 p -92.36 122.86 35.22 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 122.558 -0.377 . . . . 0.0 110.102 178.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -111.2 94.74 5.14 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.592 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 11.2 mp -104.42 124.27 48.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.423 -173.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 6.8 m -104.83 114.25 28.34 Favored 'General case' 0 C--N 1.318 -0.779 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 171.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.585 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.36 165.64 38.39 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 118.795 -1.669 . . . . 0.0 114.725 -173.148 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.496 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 9.3 t -106.49 148.66 27.93 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.113 -0.543 . . . . 0.0 109.998 175.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.746 ' HZ2' ' HB3' ' A' ' 64' ' ' LEU . 66.0 t-105 -125.5 140.81 52.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.77 0.319 . . . . 0.0 110.872 -179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.465 ' OG1' HG13 ' A' ' 65' ' ' VAL . 20.7 p -133.37 142.76 48.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.995 179.409 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.44 ' HA ' ' O ' ' A' ' 63' ' ' LYS . 25.1 ttt -125.2 106.01 9.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.244 0.545 . . . . 0.0 109.786 171.214 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -103.83 108.57 19.94 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.629 179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.46 -104.92 1.15 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.974 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.3 p30 -124.6 40.78 3.66 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-O 121.411 0.624 . . . . 0.0 109.411 175.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 4.3 mppt? -124.88 128.38 48.58 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.932 177.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.746 ' HB3' ' HZ2' ' A' ' 57' ' ' TRP . 45.6 mt -108.47 122.04 46.21 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 114.564 -1.198 . . . . 0.0 109.006 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.465 HG13 ' OG1' ' A' ' 58' ' ' THR . 3.1 p -160.35 152.65 4.97 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.454 -169.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -173.57 -149.93 7.23 Favored Glycine 0 N--CA 1.439 -1.136 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.334 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.41 ' NZ ' ' HB2' ' A' ' 67' ' ' LYS . 5.0 ttmp? -161.72 107.03 1.29 Allowed 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 176.572 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.592 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 6.6 m-85 -117.48 150.35 39.07 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 179.624 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.739 ' HA ' ' HA ' ' A' ' 76' ' ' GLU . 5.0 ptpp? -121.83 126.36 48.6 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.331 0.586 . . . . 0.0 111.34 -178.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.607 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -94.45 106.67 18.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.365 -179.052 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.6 p -63.55 -40.47 89.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -173.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.497 ' HB3' ' NE ' ' A' ' 70' ' ' ARG . 35.0 t70 -62.05 -37.59 85.55 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.811 0.339 . . . . 0.0 111.404 -178.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.576 ' H ' ' HD2' ' A' ' 70' ' ' ARG . 6.2 m120 -71.12 -48.32 52.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.704 0.764 . . . . 0.0 109.777 176.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.36 -64.48 0.14 Allowed Glycine 0 N--CA 1.441 -1.01 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.502 ' C ' ' HB2' ' A' ' 69' ' ' LYS . 19.0 ptpt 176.04 54.03 0.0 OUTLIER 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.066 -0.567 . . . . 0.0 111.473 170.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.739 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 3.1 mt-10 -168.01 139.72 2.94 Favored 'General case' 0 N--CA 1.466 0.339 0 N-CA-C 113.284 0.846 . . . . 0.0 113.284 176.262 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.607 ' HB2' ' HB2' ' A' ' 70' ' ' ARG . 5.0 tt -169.13 103.64 0.38 Allowed 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 168.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 58.7 mt -118.81 131.0 72.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 120.945 0.403 . . . . 0.0 111.876 -169.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.627 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -106.67 129.65 54.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.001 174.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 57.7 t -140.82 129.01 23.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.676 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 13.7 tpt180 -166.71 148.95 6.44 Favored 'General case' 0 C--O 1.221 -0.434 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 -178.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.455 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 12.4 pt-20 -105.71 166.06 10.73 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 171.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.6 mm -101.79 123.18 54.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.539 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 3.7 p -108.1 122.88 47.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 56.51 -121.97 26.41 Favored Glycine 0 C--N 1.333 0.372 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 -174.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 19.1 p-10 -123.93 96.68 5.04 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-O 122.276 1.036 . . . . 0.0 109.15 164.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.594 ' HA ' ' HA ' ' A' ' 104' ' ' LYS . 14.2 pt-20 -169.62 166.31 9.98 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 39.4 tp -138.4 127.23 23.76 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 119.845 -0.742 . . . . 0.0 111.391 176.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.676 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 32.1 mm -104.86 150.4 7.71 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 171.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.49 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.2 tp-100 -131.17 112.72 13.08 Favored 'General case' 0 C--N 1.312 -1.035 0 C-N-CA 120.369 -0.532 . . . . 0.0 110.418 -176.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.627 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -104.58 125.99 51.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.329 -176.554 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.475 ' HD2' HD21 ' A' ' 77' ' ' LEU . 21.8 m-85 -104.29 107.24 18.06 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 171.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.435 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 5.7 m -104.22 134.34 47.61 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.12 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.7 t80 -145.85 122.36 11.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.977 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 68.3 -60.44 0.42 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 124.285 0.99 . . . . 0.0 111.638 178.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -173.89 31.36 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.647 -0.581 . . . . 0.0 111.647 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 93' ' ' THR . 22.0 t -131.68 130.06 61.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 178.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.64 126.14 55.05 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.245 0.545 . . . . 0.0 110.819 176.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -130.34 126.14 36.4 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.833 -0.803 . . . . 0.0 108.833 175.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.583 ' HB3' HG23 ' A' ' 91' ' ' THR . 18.5 pttm -130.85 137.28 49.3 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.141 0.496 . . . . 0.0 112.09 -172.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.65 ' HD3' ' CZ ' ' A' ' 103' ' ' PHE . 32.4 ttt-85 -104.79 154.73 19.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.535 178.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.3 tt -101.58 136.43 33.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.314 0.578 . . . . 0.0 112.001 -173.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.65 ' CZ ' ' HD3' ' A' ' 101' ' ' ARG . 52.6 m-85 -144.65 167.51 22.38 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -141.69 162.92 34.3 Favored 'General case' 0 C--N 1.322 -0.628 0 C-N-CA 120.926 -0.309 . . . . 0.0 111.513 -178.521 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.587 ' HD3' ' CE2' ' A' ' 6' ' ' TRP . 23.8 tptp -68.38 131.36 45.17 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.076 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.626 ' CB ' ' HB ' ' A' ' 5' ' ' THR . 8.1 tp10 . . . . . 0 C--O 1.245 0.864 0 CA-C-O 118.569 -0.729 . . . . 0.0 109.989 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.475 ' HB3' ' NE2' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.708 ' HB2' ' OE1' ' A' ' 17' ' ' GLN . 37.6 m-85 -73.95 -76.86 0.12 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.471 176.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 40.09 45.83 1.74 Allowed 'General case' 0 N--CA 1.477 0.887 0 CA-C-O 122.243 1.021 . . . . 0.0 110.968 -178.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.98 169.01 40.05 Favored Glycine 0 N--CA 1.44 -1.097 0 CA-C-N 113.899 -1.5 . . . . 0.0 110.943 -173.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.569 HG22 ' OG1' ' A' ' 14' ' ' THR . 48.6 p -99.91 129.29 45.98 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 -178.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 1.035 ' HZ3' ' HA ' ' A' ' 87' ' ' GLU . 23.9 m95 -136.52 103.44 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -177.185 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.833 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 33.0 tptt -166.17 167.95 15.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.901 0.381 . . . . 0.0 111.51 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.728 ' HA ' ' HE3' ' A' ' 104' ' ' LYS . 15.3 t -100.85 155.48 4.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.472 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -47.84 139.94 9.6 Favored Glycine 0 C--N 1.335 0.511 0 O-C-N 123.412 0.445 . . . . 0.0 113.506 -175.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.63 -36.4 3.85 Favored Glycine 0 N--CA 1.447 -0.599 0 N-CA-C 111.541 -0.623 . . . . 0.0 111.541 -175.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.691 HD22 ' HA ' ' A' ' 28' ' ' SER . 13.0 mt -111.44 165.23 12.15 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -142.78 148.7 37.62 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 176.596 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.833 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 4.5 tt -150.81 132.08 14.53 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.087 0.47 . . . . 0.0 109.783 -175.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.729 ' H ' ' HB3' ' A' ' 25' ' ' LYS . 19.1 m -142.26 136.43 29.79 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.011 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.583 ' HA ' ' O ' ' A' ' 23' ' ' THR . 48.7 mt -132.8 139.63 49.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.9 m -134.89 130.53 36.06 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.22 -0.289 . . . . 0.0 110.22 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.708 ' OE1' ' HB2' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -163.6 168.86 19.42 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.516 -170.47 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 1.022 ' H ' ' HB2' ' A' ' 20' ' ' ASN . 12.6 pt-20 -166.29 59.54 0.1 Allowed 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.524 0.73 . . . . 0.0 109.82 178.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 69.1 63.17 3.56 Favored Glycine 0 C--N 1.343 0.953 0 N-CA-C 107.255 -2.338 . . . . 0.0 107.255 -165.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 1.022 ' HB2' ' H ' ' A' ' 18' ' ' GLU . 0.1 OUTLIER -149.09 -170.65 3.68 Favored 'General case' 0 CA--C 1.498 -1.039 0 N-CA-C 116.498 2.036 . . . . 0.0 116.498 -146.651 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 38' ' ' GLU . 34.7 ttpt -96.63 123.46 40.31 Favored 'General case' 0 N--CA 1.416 -2.126 0 CA-C-N 110.87 -2.877 . . . . 0.0 106.451 176.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.59 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 1.3 m-30 -101.72 117.58 35.18 Favored 'General case' 0 N--CA 1.434 -1.268 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.241 -168.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.583 ' O ' ' HA ' ' A' ' 15' ' ' ILE . 0.9 OUTLIER -108.56 124.52 50.6 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.468 -179.059 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.572 HG13 HD21 ' A' ' 13' ' ' LEU . 69.7 t -103.73 133.7 46.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.894 -175.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.729 ' HB3' ' H ' ' A' ' 14' ' ' THR . 74.3 tttt -101.84 105.37 16.2 Favored 'General case' 0 C--N 1.315 -0.906 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.769 ' HB3' HG23 ' A' ' 33' ' ' ILE . 6.7 tp10 -105.55 138.08 42.34 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 -178.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.5 m -151.28 134.73 16.19 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.528 -178.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.691 ' HA ' HD22 ' A' ' 11' ' ' LEU . 50.4 m -153.12 112.3 3.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.77 0.319 . . . . 0.0 111.414 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 66.1 -62.3 0.26 Allowed 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.963 -1.017 . . . . 0.0 113.274 174.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.93 45.81 0.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.003 0.43 . . . . 0.0 111.155 -176.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -160.81 135.72 7.58 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.149 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -126.31 129.82 49.63 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.794 -178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.769 HG23 ' HB3' ' A' ' 26' ' ' GLU . 3.6 tt -146.59 134.95 15.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.043 -174.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.554 ' HA ' ' O ' ' A' ' 24' ' ' VAL . 13.1 p-10 -107.7 137.76 45.15 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.094 0.473 . . . . 0.0 110.796 178.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.8 t -112.57 109.49 28.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.4 177.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.4 p -106.68 132.2 54.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.003 0.43 . . . . 0.0 111.406 -177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.635 ' HB3' ' HZ ' ' A' ' 43' ' ' PHE . 8.9 p90 -153.46 141.52 20.34 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.381 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.742 ' HA ' ' HA ' ' A' ' 21' ' ' LYS . 33.2 tt0 -100.7 143.75 30.49 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.587 -173.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.643 HD12 ' H ' ' A' ' 20' ' ' ASN . 1.1 mt -53.23 112.65 0.92 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.146 -0.933 . . . . 0.0 111.816 -175.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.3 40.74 69.75 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.649 -0.705 . . . . 0.0 113.08 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.457 HG21 ' HB3' ' A' ' 38' ' ' GLU . 71.6 t -124.04 138.19 54.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.934 0.367 . . . . 0.0 110.348 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -106.85 133.93 50.76 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 176.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.635 ' HZ ' ' HB3' ' A' ' 37' ' ' PHE . 51.1 p90 -164.39 165.28 21.71 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -169.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.526 ' HA ' ' HA ' ' A' ' 54' ' ' THR . . . -104.62 132.35 50.97 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 173.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -143.54 140.14 30.1 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -177.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.544 ' HA ' ' O ' ' A' ' 51' ' ' THR . 36.8 t -102.85 128.81 49.47 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 121.153 0.502 . . . . 0.0 110.132 178.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.407 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 54.1 mt -110.3 136.34 49.63 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.699 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 58.05 24.71 11.47 Favored 'General case' 0 N--CA 1.463 0.186 0 O-C-N 123.891 0.745 . . . . 0.0 110.755 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 51.67 38.84 23.82 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.263 -179.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -148.52 -54.95 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.538 -178.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.544 ' O ' ' HA ' ' A' ' 46' ' ' SER . 49.7 p -77.56 139.53 39.57 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -125.52 99.54 6.06 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.722 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 10.7 mp -103.97 124.16 48.5 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.306 -174.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.526 ' HA ' ' HA ' ' A' ' 44' ' ' ALA . 6.3 m -104.93 113.55 27.21 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 171.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.506 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -167.03 165.97 38.89 Favored Glycine 0 N--CA 1.442 -0.906 0 C-N-CA 119.541 -1.314 . . . . 0.0 113.744 -175.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 13.1 t -108.95 146.52 33.7 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 176.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.537 ' CZ2' ' HB3' ' A' ' 64' ' ' LEU . 31.6 t-105 -129.04 136.03 49.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.783 -0.19 . . . . 0.0 110.919 -178.165 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 45.9 p -132.75 129.21 38.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.782 0.325 . . . . 0.0 111.054 176.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.529 ' HG2' ' HE2' ' A' ' 22' ' ' PHE . 9.4 tpt -107.31 104.99 14.72 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 173.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 42.0 tp10 -104.56 103.68 13.4 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.721 -0.392 . . . . 0.0 110.623 -176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.38 -66.65 0.75 Allowed Glycine 0 C--N 1.331 0.29 0 CA-C-N 115.919 -0.582 . . . . 0.0 113.195 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -165.81 41.0 0.06 Allowed 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 -176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 mttt -141.69 126.39 18.0 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.781 -178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.537 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 32.9 mt -103.57 104.63 14.71 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.867 -176.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.6 t -135.21 136.24 51.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.673 -175.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -169.41 -157.31 11.72 Favored Glycine 0 N--CA 1.441 -0.998 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 176.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -166.2 120.85 1.16 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 176.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.722 ' HB3' ' HB3' ' A' ' 53' ' ' LEU . 9.2 m-85 -121.19 147.27 45.83 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.48 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.697 ' O ' ' HA ' ' A' ' 53' ' ' LEU . 35.6 ttmt -104.4 127.27 52.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.319 -179.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.641 ' HE ' ' HB3' ' A' ' 72' ' ' ASP . 20.7 ttt180 -125.98 101.12 6.66 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.362 -179.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.467 ' C ' ' H ' ' A' ' 73' ' ' ASN . 8.7 p -70.65 -15.4 18.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.169 0.509 . . . . 0.0 110.279 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.641 ' HB3' ' HE ' ' A' ' 70' ' ' ARG . 37.2 t70 -70.51 24.23 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.068 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.467 ' H ' ' C ' ' A' ' 71' ' ' VAL . 45.5 t30 -173.22 -41.25 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 177.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.449 ' HA3' ' OH ' ' A' ' 94' ' ' TYR . . . -162.31 -84.86 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.653 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 174.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.485 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 62.6 pttt -173.7 34.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.599 0.238 . . . . 0.0 111.105 172.172 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.521 ' HA ' ' HA ' ' A' ' 69' ' ' LYS . 37.5 mt-10 -162.99 147.09 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.344 0.592 . . . . 0.0 111.223 177.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.551 HD22 ' HD2' ' A' ' 70' ' ' ARG . 40.7 tp -167.09 104.33 0.55 Allowed 'General case' 0 C--N 1.314 -0.954 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 171.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.653 ' HB ' ' HB ' ' A' ' 93' ' ' THR . 48.1 mt -115.39 148.27 18.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.667 -170.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.67 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -121.74 130.79 53.68 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 171.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.8 p -149.86 124.33 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.522 -173.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.515 ' HG3' ' H ' ' A' ' 82' ' ' GLU . 14.0 tpt180 -169.18 166.2 10.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.495 174.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.515 ' H ' ' HG3' ' A' ' 81' ' ' ARG . 8.3 pt-20 -126.31 146.58 49.97 Favored 'General case' 0 N--CA 1.444 -0.758 0 CA-C-N 116.148 -0.478 . . . . 0.0 109.957 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.603 ' CD1' HD13 ' A' ' 88' ' ' LEU . 0.0 OUTLIER -102.61 128.18 55.62 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.901 0 N-CA-C 106.668 -1.604 . . . . 0.0 106.668 166.474 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.516 ' O ' ' HB2' ' A' ' 86' ' ' ASN . 46.9 m -148.06 98.09 2.88 Favored 'General case' 0 C--N 1.309 -1.176 0 C-N-CA 118.325 -1.35 . . . . 0.0 112.159 -179.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 51.3 39.94 44.4 Favored Glycine 0 CA--C 1.498 -1.023 0 N-CA-C 108.595 -1.802 . . . . 0.0 108.595 -175.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.516 ' HB2' ' O ' ' A' ' 84' ' ' SER . 4.2 t-20 -166.65 173.68 9.45 Favored 'General case' 0 N--CA 1.42 -1.929 0 CA-C-N 112.469 -1.866 . . . . 0.0 107.699 -159.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 1.035 ' HA ' ' HZ3' ' A' ' 6' ' ' TRP . 0.7 OUTLIER -103.17 167.94 9.5 Favored 'General case' 0 C--N 1.278 -2.509 0 CA-C-N 113.319 -1.764 . . . . 0.0 107.385 -178.027 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.603 HD13 ' CD1' ' A' ' 83' ' ' ILE . 12.6 tp -96.19 129.63 43.45 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-O 121.922 0.868 . . . . 0.0 112.155 -165.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.613 HG13 HG23 ' A' ' 102' ' ' ILE . 4.0 mp -101.82 163.56 3.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 N-CA-C 106.723 -1.584 . . . . 0.0 106.723 172.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.442 ' HB3' ' HE2' ' A' ' 103' ' ' PHE . 52.5 tt0 -138.74 118.8 13.42 Favored 'General case' 0 C--N 1.314 -0.946 0 O-C-N 121.368 -0.833 . . . . 0.0 111.313 -175.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.67 ' O ' ' HA ' ' A' ' 79' ' ' ALA . 7.4 m -104.99 133.0 50.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.28 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.461 ' HD2' HD11 ' A' ' 77' ' ' LEU . 6.9 m-85 -104.05 108.32 19.62 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 167.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.653 ' HB ' ' HB ' ' A' ' 78' ' ' ILE . 34.3 m -102.44 134.86 45.07 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.862 -175.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.449 ' OH ' ' HA3' ' A' ' 74' ' ' GLY . 46.1 t80 -147.61 122.3 9.88 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.695 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 56.38 43.69 25.77 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-O 121.588 0.708 . . . . 0.0 110.465 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 69.54 14.34 69.44 Favored Glycine 0 CA--C 1.521 0.434 0 CA-C-N 115.619 -0.718 . . . . 0.0 113.503 178.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.457 ' O ' ' HA ' ' A' ' 93' ' ' THR . 25.4 t -104.19 135.6 41.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 117.034 0.417 . . . . 0.0 109.931 177.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.615 ' HG3' HG23 ' A' ' 91' ' ' THR . 7.2 tt0 -104.93 133.87 49.01 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.239 0.543 . . . . 0.0 111.478 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -138.66 113.78 9.39 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.185 -1.043 . . . . 0.0 108.185 175.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 44.3 pttt -129.26 148.73 51.21 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 112.769 0.655 . . . . 0.0 112.769 -168.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.402 ' O ' HG23 ' A' ' 89' ' ' ILE . 38.7 tpt85 -122.67 143.06 50.03 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.56 -1.2 . . . . 0.0 107.952 172.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.613 HG23 HG13 ' A' ' 89' ' ' ILE . 73.7 mt -100.31 126.79 53.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.379 0.609 . . . . 0.0 111.029 -173.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' A' ' 88' ' ' LEU . 55.0 m-85 -123.01 168.48 12.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.049 -0.978 . . . . 0.0 109.824 -178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.765 ' HA ' ' HB3' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -142.29 165.41 27.51 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.955 -0.757 . . . . 0.0 108.955 178.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 6' ' ' TRP . 8.8 tmtm? -54.69 132.86 46.5 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.631 ' H ' ' HA ' ' A' ' 6' ' ' TRP . 19.8 tt0 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.434 -0.793 . . . . 0.0 110.426 -174.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -79.13 -105.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.905 -0.134 . . . . 0.0 111.224 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 25.5 t70 62.39 58.36 1.74 Allowed 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.78 0.8 . . . . 0.0 109.382 -174.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.6 166.9 38.74 Favored Glycine 0 N--CA 1.443 -0.855 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.782 -173.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.532 ' HA ' ' O ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -101.2 127.73 47.64 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.659 0.266 . . . . 0.0 110.812 -178.765 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.536 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 6.4 m0 -132.0 102.18 5.72 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 -178.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.001 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 29.4 tptt -168.15 171.0 9.81 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.081 0.467 . . . . 0.0 111.925 -176.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.612 HG23 ' HD1' ' A' ' 103' ' ' PHE . 38.5 t -99.33 146.47 8.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.288 178.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -45.21 140.03 5.02 Favored Glycine 0 C--N 1.335 0.509 0 O-C-N 123.728 0.642 . . . . 0.0 113.925 -174.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.78 -38.77 3.01 Favored Glycine 0 N--CA 1.449 -0.443 0 N-CA-C 111.324 -0.71 . . . . 0.0 111.324 -174.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.877 HD22 ' HA ' ' A' ' 28' ' ' SER . 23.4 mt -104.9 165.59 10.97 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 175.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -146.26 143.12 28.97 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.893 0.377 . . . . 0.0 110.149 174.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.001 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 3.6 tt -139.79 135.17 32.76 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -177.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.542 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.8 m -135.03 122.28 21.58 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 -178.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.6 mt -110.77 115.05 48.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.899 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.1 m -123.01 144.37 49.31 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.395 -175.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.61 ' HA ' ' O ' ' A' ' 21' ' ' LYS . 3.7 pm0 -130.34 132.83 46.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.295 0.569 . . . . 0.0 111.274 178.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' HG3' ' HB2' ' A' ' 21' ' ' LYS . 10.4 pt-20 -104.27 87.07 2.65 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.185 -0.916 . . . . 0.0 108.85 174.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 74.56 -103.65 1.56 Allowed Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 109.871 -1.292 . . . . 0.0 109.871 -167.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.548 ' HB3' HD13 ' A' ' 39' ' ' LEU . 4.3 m120 -125.82 94.35 4.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 166.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.61 ' O ' ' HA ' ' A' ' 17' ' ' GLN . 8.6 mtpm? -169.51 106.17 0.38 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 106.468 -1.679 . . . . 0.0 106.468 173.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -103.67 128.96 50.92 Favored 'General case' 0 C--N 1.314 -0.961 0 C-N-CA 120.148 -0.621 . . . . 0.0 111.447 -171.217 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.473 ' HA ' ' HA ' ' A' ' 36' ' ' VAL . 9.5 t -115.45 129.66 56.63 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.352 175.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.815 HG13 HD21 ' A' ' 13' ' ' LEU . 54.6 t -104.2 124.85 58.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.848 0 N-CA-C 108.733 -0.839 . . . . 0.0 108.733 179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.667 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 40.0 tttm -100.47 110.4 22.58 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -179.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 32' ' ' ASN . 4.5 mm-40 -103.69 136.71 42.88 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.405 0.622 . . . . 0.0 111.063 -176.311 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' A' ' 31' ' ' ARG . 7.5 m -144.81 110.81 5.46 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.713 177.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.877 ' HA ' HD22 ' A' ' 11' ' ' LEU . 58.5 m -158.72 152.38 23.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 -174.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.8 m120 68.1 -78.38 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 O-C-N 123.795 0.684 . . . . 0.0 110.785 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -167.37 47.76 0.06 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 175.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.586 ' O ' ' HA ' ' A' ' 27' ' ' SER . 0.0 OUTLIER -144.71 148.83 34.65 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.142 -1.39 . . . . 0.0 111.064 -167.718 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.4 ' HA ' ' O ' ' A' ' 26' ' ' GLU . 12.5 p30 -145.38 115.71 7.55 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.551 174.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -152.67 136.48 8.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.237 -172.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.0 137.61 41.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.253 -176.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.513 HG22 HD22 ' A' ' 47' ' ' LEU . 14.7 t -114.02 116.68 53.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.473 ' HA ' ' HA ' ' A' ' 23' ' ' THR . 11.4 p -107.5 137.95 36.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 120.954 0.407 . . . . 0.0 110.969 -178.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 43' ' ' PHE . 17.3 p90 -150.27 143.55 25.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.918 -177.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.408 ' HB3' HG21 ' A' ' 41' ' ' VAL . 85.5 tt0 -103.65 141.99 35.09 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 176.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.548 HD13 ' HB3' ' A' ' 20' ' ' ASN . 6.4 mp -59.21 121.71 12.02 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.283 -173.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.412 ' HA2' HG22 ' A' ' 58' ' ' THR . . . 74.62 30.15 60.45 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.525 -0.761 . . . . 0.0 112.898 179.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 38' ' ' GLU . 81.7 t -119.06 137.94 51.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.847 0.356 . . . . 0.0 110.381 178.105 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.471 ' HB3' ' HB ' ' A' ' 56' ' ' THR . 9.1 p-10 -104.35 141.08 36.95 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.394 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 37' ' ' PHE . 42.2 p90 -163.81 150.39 11.74 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.108 0.48 . . . . 0.0 111.667 -173.44 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.562 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -104.65 136.22 44.59 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.581 175.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -159.54 149.69 18.88 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.796 0.331 . . . . 0.0 110.749 -176.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 26.7 t -102.26 126.23 49.19 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.629 177.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.578 ' HB2' ' OG1' ' A' ' 51' ' ' THR . 85.2 mt -108.34 129.6 55.23 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.626 -178.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 51.96 32.14 9.63 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 123.936 0.773 . . . . 0.0 112.287 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 50.42 47.13 24.46 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.195 178.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -156.4 -51.47 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.605 0 C-N-CA 120.328 -0.939 . . . . 0.0 112.743 -177.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.61 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 82.1 p -94.61 124.34 38.59 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 117.169 0.485 . . . . 0.0 110.414 179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.649 ' H ' ' HD3' ' A' ' 70' ' ' ARG . 16.6 mt-10 -111.13 91.51 3.69 Favored 'General case' 0 CA--C 1.511 -0.52 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 177.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.61 ' CD1' ' HB ' ' A' ' 51' ' ' THR . 10.9 mp -103.38 127.05 50.84 Favored 'General case' 0 C--N 1.314 -0.962 0 C-N-CA 120.491 -0.484 . . . . 0.0 111.048 -172.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.562 HG23 ' HB2' ' A' ' 44' ' ' ALA . 7.3 m -107.94 112.3 24.82 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.446 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -166.77 166.37 39.02 Favored Glycine 0 N--CA 1.441 -0.987 0 C-N-CA 118.985 -1.579 . . . . 0.0 114.163 -173.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.471 ' HB ' ' HB3' ' A' ' 42' ' ' ASP . 15.2 t -110.53 143.78 40.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.189 -0.506 . . . . 0.0 110.113 177.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 24.0 t-105 -119.82 135.61 54.79 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.412 HG22 ' HA2' ' A' ' 40' ' ' GLY . 45.5 p -134.79 137.21 43.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.918 0.389 . . . . 0.0 110.89 178.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 50.0 ttm -104.24 116.49 32.27 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 172.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -103.51 102.83 12.74 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 61.75 -112.24 4.62 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.267 -173.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -114.43 52.96 0.81 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.523 0.678 . . . . 0.0 109.294 172.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.64 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 10.6 mptt -138.26 138.02 38.04 Favored 'General case' 0 CA--C 1.512 -0.489 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.067 -179.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.7 mt -110.83 104.86 13.52 Favored 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.769 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 59.6 t -129.51 140.75 48.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.022 -174.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -166.65 -159.63 12.63 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.312 -0.947 . . . . 0.0 111.773 178.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.8 ttmp? -165.07 114.75 1.09 Allowed 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.67 ' H ' HG12 ' A' ' 78' ' ' ILE . 12.5 m-85 -125.11 146.08 49.64 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.144 0.497 . . . . 0.0 110.779 -177.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 34.4 ttmt -110.47 125.45 53.3 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.626 -177.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.657 ' CZ ' ' HB2' ' A' ' 72' ' ' ASP . 14.5 tpt180 -124.91 105.27 9.1 Favored 'General case' 0 CA--C 1.515 -0.389 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.43 ' N ' ' HD2' ' A' ' 70' ' ' ARG . 8.7 p -64.06 -34.34 68.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -173.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.657 ' HB2' ' CZ ' ' A' ' 70' ' ' ARG . 41.7 t0 -56.79 -42.68 79.89 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 120.492 -0.483 . . . . 0.0 111.739 -175.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -83.83 -54.15 5.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.712 0.292 . . . . 0.0 111.737 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -178.76 39.23 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.467 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.574 ' O ' ' HG3' ' A' ' 69' ' ' LYS . 55.0 pttt 47.15 35.63 3.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 124.5 1.12 . . . . 0.0 112.529 -176.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -159.7 134.75 8.06 Favored 'General case' 0 N--CA 1.462 0.143 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.486 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.518 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 4.8 tt -168.42 104.82 0.45 Allowed 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 172.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.67 HG12 ' H ' ' A' ' 68' ' ' PHE . 20.4 mt -119.09 165.63 14.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 C-N-CA 120.934 -0.307 . . . . 0.0 110.371 -173.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.521 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -137.04 114.83 11.29 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 174.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 60.5 t -133.69 128.59 54.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.213 -176.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.7 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 20.9 tpt180 -165.08 148.82 8.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.052 0.453 . . . . 0.0 111.897 178.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.64 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 1.0 OUTLIER -104.47 165.96 10.71 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.796 174.748 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 14.6 mm -101.74 120.9 52.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 30.2 t -110.81 128.56 55.81 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.55 -123.4 32.63 Favored Glycine 0 C--N 1.336 0.56 0 N-CA-C 109.899 -1.28 . . . . 0.0 109.899 -172.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -130.71 95.08 3.76 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 118.984 -1.086 . . . . 0.0 109.247 162.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -171.26 153.25 3.58 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.283 -1.326 . . . . 0.0 107.77 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 31.1 tp -117.72 126.36 52.32 Favored 'General case' 0 C--N 1.316 -0.884 0 C-N-CA 120.295 -0.562 . . . . 0.0 111.394 -179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.7 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 4.3 mp -104.3 147.73 9.98 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.963 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 170.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 50.6 tt0 -124.16 115.09 20.54 Favored 'General case' 0 C--N 1.313 -1.0 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.783 -174.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.918 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -110.22 132.81 53.84 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.623 -178.312 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.587 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 3.3 m-85 -101.33 118.28 36.65 Favored 'General case' 0 N--CA 1.443 -0.779 0 N-CA-C 107.163 -1.421 . . . . 0.0 107.163 169.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.72 ' CG2' HG12 ' A' ' 97' ' ' VAL . 0.9 OUTLIER -100.8 129.5 46.69 Favored 'General case' 0 C--N 1.297 -1.701 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.985 -168.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -165.76 149.54 8.02 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.276 -172.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.432 ' HA ' ' OE1' ' A' ' 95' ' ' GLU . 4.8 tp10 48.9 48.18 20.73 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 -177.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.519 ' O ' HG13 ' A' ' 97' ' ' VAL . . . 119.44 -108.61 1.54 Allowed Glycine 0 N--CA 1.43 -1.707 0 CA-C-N 113.834 -1.53 . . . . 0.0 110.646 -166.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.72 HG12 ' CG2' ' A' ' 93' ' ' THR . 2.1 m -171.16 89.24 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.545 0.788 0 CA-C-O 117.449 -1.262 . . . . 0.0 111.706 176.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.534 ' HB3' ' O ' ' A' ' 97' ' ' VAL . 6.0 pt-20 -179.47 130.66 0.1 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.95 1.833 . . . . 0.0 115.95 162.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.759 ' H ' HG22 ' A' ' 91' ' ' THR . . . -169.81 102.76 0.31 Allowed 'General case' 0 C--O 1.219 -0.505 0 CA-C-N 114.068 -1.424 . . . . 0.0 107.327 164.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.918 ' HB3' HG23 ' A' ' 91' ' ' THR . 12.4 pttt -126.46 139.1 53.5 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 114.749 1.389 . . . . 0.0 114.749 -164.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 32.0 tpt180 -124.89 144.16 50.47 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 113.565 -1.652 . . . . 0.0 107.694 171.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.48 HG23 HG13 ' A' ' 89' ' ' ILE . 55.4 mt -101.94 126.25 55.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.285 0.564 . . . . 0.0 111.388 -172.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.612 ' HD1' HG23 ' A' ' 8' ' ' VAL . 53.7 m-85 -120.97 166.52 13.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.465 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.416 ' HD2' ' N ' ' A' ' 104' ' ' LYS . 0.0 OUTLIER -143.62 154.77 43.89 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.423 -175.493 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.546 ' HD3' ' N ' ' A' ' 106' ' ' GLU . 3.4 tmtp? -61.56 126.28 26.81 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.018 0.437 . . . . 0.0 110.433 -177.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.546 ' N ' ' HD3' ' A' ' 105' ' ' LYS . 17.2 tp10 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.332 176.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.787 ' HB1' ' H ' ' A' ' 17' ' ' GLN . . . . . . . . 0 N--CA 1.483 1.183 0 CA-C-O 119.214 -0.422 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 1.044 ' HD1' HG23 ' A' ' 15' ' ' ILE . 19.0 m-30 -121.36 130.13 53.45 Favored 'General case' 0 CA--C 1.558 1.277 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -170.332 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 1.036 ' N ' ' H ' ' A' ' 16' ' ' THR . 0.6 OUTLIER 139.03 47.49 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.147 0 C-N-CA 127.577 2.351 . . . . 0.0 111.767 -169.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.965 ' HA3' ' HB ' ' A' ' 16' ' ' THR . . . -165.56 169.51 40.01 Favored Glycine 0 C--O 1.182 -3.107 0 CA-C-O 118.627 -1.096 . . . . 0.0 110.855 -173.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.1 p -103.45 122.11 44.21 Favored 'General case' 0 C--N 1.307 -1.261 0 O-C-N 117.771 -3.194 . . . . 0.0 114.916 -169.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.637 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -132.42 113.51 13.23 Favored 'General case' 0 N--CA 1.484 1.239 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 164.847 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.012 ' HD3' ' HB2' ' A' ' 13' ' ' LEU . 11.2 tptm -168.74 169.84 9.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 119.398 0.999 . . . . 0.0 112.697 175.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.418 ' H ' ' HG3' ' A' ' 7' ' ' LYS . 21.7 t -100.26 144.29 12.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.034 -0.985 . . . . 0.0 109.067 178.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -46.96 126.81 10.48 Favored Glycine 0 C--N 1.332 0.309 0 O-C-N 123.539 0.525 . . . . 0.0 113.465 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.67 -32.29 6.31 Favored Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 111.532 -0.627 . . . . 0.0 111.532 -175.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.85 HD22 ' HA ' ' A' ' 28' ' ' SER . 17.4 mt -118.44 165.77 13.49 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.428 ' H ' ' HB2' ' A' ' 27' ' ' SER . 14.8 ptpt -133.47 146.91 51.57 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 174.223 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 1.012 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 2.1 tt -148.96 121.03 8.26 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 178.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.951 ' HA ' ' O ' ' A' ' 4' ' ' GLY . 28.8 m -104.91 121.05 42.9 Favored 'General case' 0 N--CA 1.437 -1.117 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.453 -175.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 1.044 HG23 ' HD1' ' A' ' 2' ' ' PHE . 29.9 mt -158.58 104.9 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.56 1.331 0 CA-C-N 114.096 -1.411 . . . . 0.0 110.475 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 1.036 ' H ' ' N ' ' A' ' 3' ' ' ASP . 0.3 OUTLIER -175.34 109.79 0.11 Allowed 'General case' 0 N--CA 1.434 -1.267 0 O-C-N 121.174 -0.954 . . . . 0.0 110.329 169.741 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.904 ' HG2' ' N ' ' A' ' 21' ' ' LYS . 5.7 tp-100 -103.53 158.35 16.42 Favored 'General case' 0 C--N 1.313 -1.015 0 O-C-N 120.685 -1.26 . . . . 0.0 113.969 -172.061 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.617 ' HG3' ' OE1' ' A' ' 17' ' ' GLN . 1.5 pp20? -54.84 -39.3 68.45 Favored 'General case' 0 C--N 1.34 0.188 0 CA-C-N 114.819 -1.082 . . . . 0.0 111.255 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.593 ' H ' ' HG3' ' A' ' 17' ' ' GLN . . . -171.76 -53.7 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.859 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 177.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.533 ' HB3' HD13 ' A' ' 39' ' ' LEU . 6.2 m120 -148.77 94.02 2.21 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 110.143 -0.318 . . . . 0.0 110.143 172.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.904 ' N ' ' HG2' ' A' ' 17' ' ' GLN . 34.7 mttm -169.47 129.73 1.05 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 174.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.726 ' HA ' ' HB2' ' A' ' 2' ' ' PHE . 13.0 m-30 -121.82 103.66 9.02 Favored 'General case' 0 C--N 1.286 -2.177 0 O-C-N 119.696 -1.877 . . . . 0.0 112.192 -165.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.45 ' HA ' ' O ' ' A' ' 35' ' ' VAL . 2.3 m -110.05 113.45 26.17 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.903 -1.044 . . . . 0.0 108.939 167.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.571 ' HA ' ' O ' ' A' ' 14' ' ' THR . 93.4 t -103.79 122.03 56.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 178.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.844 ' O ' ' HA ' ' A' ' 13' ' ' LEU . 38.7 tttp -101.93 111.19 23.37 Favored 'General case' 0 C--N 1.308 -1.235 0 C-N-CA 119.782 -0.767 . . . . 0.0 109.522 176.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.34 143.66 32.68 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.265 -178.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB2' ' H ' ' A' ' 12' ' ' LYS . 22.9 m -155.7 136.34 13.38 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.978 -175.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.85 ' HA ' HD22 ' A' ' 11' ' ' LEU . 49.3 m -158.06 134.8 9.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.52 178.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 64.71 -71.07 0.08 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.584 0.754 . . . . 0.0 112.412 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -160.68 47.66 0.23 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.603 0.716 . . . . 0.0 110.193 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 28' ' ' SER . 7.7 ptm180 -146.0 146.83 31.14 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.337 178.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -152.01 125.41 8.8 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 4.7 tp -150.83 132.37 5.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.022 -172.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' A' ' 25' ' ' LYS . 1.4 m-20 -104.12 124.78 49.7 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 23' ' ' THR . 5.0 t -104.66 117.29 50.03 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 175.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 2.6 p -106.32 128.51 60.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.107 0.479 . . . . 0.0 111.143 -177.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.414 ' HE2' ' CD1' ' A' ' 57' ' ' TRP . 11.4 p90 -159.19 151.86 21.68 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.797 -175.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -107.87 159.61 16.39 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.603 ' H ' HD12 ' A' ' 39' ' ' LEU . 5.0 mp -66.11 128.21 35.18 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.826 -175.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.17 36.2 28.23 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.839 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 56' ' ' THR . 64.4 t -124.18 132.96 70.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.487 0.184 . . . . 0.0 110.636 178.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -103.46 137.38 41.63 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 174.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 18.3 p90 -155.39 145.05 21.27 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-O 120.958 0.409 . . . . 0.0 111.286 -173.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.628 ' HB2' HG23 ' A' ' 54' ' ' THR . . . -111.88 130.32 55.87 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 176.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -163.12 154.7 17.52 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 120.66 -0.416 . . . . 0.0 111.276 -174.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.438 ' HB2' ' HG2' ' A' ' 52' ' ' GLU . 29.6 t -101.86 125.72 48.6 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.69 -0.687 . . . . 0.0 109.21 175.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 74.5 mt -111.08 129.81 55.81 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.371 -175.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 54.5 36.63 26.16 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 124.029 0.831 . . . . 0.0 112.08 177.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 54.24 48.64 20.39 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.507 177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -164.73 -84.66 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.046 -1.073 . . . . 0.0 112.723 -179.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.536 ' HB ' ' CD1' ' A' ' 53' ' ' LEU . 68.0 p -64.26 127.52 31.84 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.597 0.237 . . . . 0.0 110.838 -178.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' HG2' ' HB2' ' A' ' 46' ' ' SER . 54.8 mt-10 -115.58 95.28 5.07 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 108.78 -0.822 . . . . 0.0 108.78 176.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.6 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 11.2 mp -104.33 123.53 47.56 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.379 -0.828 . . . . 0.0 111.453 -172.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.628 HG23 ' HB2' ' A' ' 44' ' ' ALA . 7.8 m -104.08 106.53 17.07 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 174.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.416 ' HA3' ' HA ' ' A' ' 68' ' ' PHE . . . -159.79 165.3 34.56 Favored Glycine 0 N--CA 1.443 -0.861 0 C-N-CA 118.456 -1.83 . . . . 0.0 114.933 -172.16 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.499 ' HA ' ' O ' ' A' ' 41' ' ' VAL . 10.9 t -118.98 144.28 46.58 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-N 114.508 -0.846 . . . . 0.0 109.64 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.672 ' CZ2' ' HB3' ' A' ' 64' ' ' LEU . 65.9 t-105 -124.26 138.64 54.37 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.327 -174.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.3 p -142.43 132.01 23.88 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 120.706 0.289 . . . . 0.0 110.575 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.415 ' HB2' ' HE2' ' A' ' 22' ' ' PHE . 26.0 ttt -105.01 115.44 30.27 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 174.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -104.15 104.56 14.5 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 65.94 -120.45 16.36 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.309 -0.948 . . . . 0.0 110.733 -170.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.6 p30 -110.76 36.38 3.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.133 0.492 . . . . 0.0 109.993 173.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.591 ' HG3' ' HB3' ' A' ' 82' ' ' GLU . 0.0 OUTLIER -120.55 135.9 54.95 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.849 177.328 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.672 ' HB3' ' CZ2' ' A' ' 57' ' ' TRP . 40.0 mt -114.53 111.86 22.04 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.303 -176.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.579 HG22 HG13 ' A' ' 80' ' ' VAL . 87.2 t -141.28 134.52 30.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.847 -176.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -163.34 -148.37 5.37 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 120.607 -0.806 . . . . 0.0 111.569 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.483 ' HA ' HG12 ' A' ' 78' ' ' ILE . 80.9 tttt -165.51 131.26 2.59 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.666 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.527 ' HB2' ' O ' ' A' ' 77' ' ' LEU . 57.2 m-85 -131.52 141.89 49.84 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.883 0.373 . . . . 0.0 110.055 177.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.739 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 51.2 tttm -104.16 112.17 25.07 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.066 -176.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.47 ' HD3' ' H ' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -94.71 68.74 3.38 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 -179.02 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 11.7 p -63.66 -24.47 35.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.744 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -49.17 -35.39 16.72 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.16 178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.47 ' H ' ' HD3' ' A' ' 70' ' ' ARG . 42.6 t30 -130.79 -41.11 1.18 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.594 -0.276 . . . . 0.0 111.579 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -131.39 -110.64 1.32 Allowed Glycine 0 N--CA 1.441 -0.995 0 C-N-CA 120.092 -1.051 . . . . 0.0 112.476 -176.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.919 ' HG2' ' HG3' ' A' ' 76' ' ' GLU . 15.7 ttpp -151.44 -38.31 0.12 Allowed 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -171.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.919 ' HG3' ' HG2' ' A' ' 75' ' ' LYS . 46.3 mt-10 -150.15 123.39 8.93 Favored 'General case' 0 CA--C 1.511 -0.531 0 C-N-CA 120.18 -0.608 . . . . 0.0 111.978 -172.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.551 HD23 HD21 ' A' ' 53' ' ' LEU . 53.6 tp -130.66 113.08 13.74 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.025 -0.989 . . . . 0.0 108.955 172.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.505 HG22 HG23 ' A' ' 80' ' ' VAL . 66.1 mt -119.23 132.2 69.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.08 -171.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.597 ' HA ' ' O ' ' A' ' 91' ' ' THR . . . -105.21 128.61 53.5 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.193 -0.669 . . . . 0.0 109.193 174.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.579 HG13 HG22 ' A' ' 65' ' ' VAL . 81.5 t -140.9 122.13 13.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 N-CA-C 110.497 -0.186 . . . . 0.0 110.497 -177.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' ' 89' ' ' ILE . 10.9 tpt180 -167.17 154.8 9.13 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-O 120.974 0.416 . . . . 0.0 111.912 175.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.591 ' HB3' ' HG3' ' A' ' 63' ' ' LYS . 14.3 pt-20 -104.57 158.2 16.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.879 175.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.401 HD11 ' CD1' ' A' ' 64' ' ' LEU . 8.0 mm -102.56 118.31 49.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.478 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 20.8 m -103.76 122.54 45.3 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 57.41 -120.1 19.47 Favored Glycine 0 C--N 1.336 0.533 0 N-CA-C 110.027 -1.229 . . . . 0.0 110.027 -172.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -129.96 96.51 4.22 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 119.423 -0.911 . . . . 0.0 109.371 163.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 84' ' ' SER . 25.7 pt-20 -168.4 151.42 5.48 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 174.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 34.9 tp -128.58 127.27 41.98 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 119.585 -0.846 . . . . 0.0 112.546 -176.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.627 ' O ' ' HG2' ' A' ' 81' ' ' ARG . 56.6 mt -104.56 146.83 11.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 166.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.495 ' O ' ' HA ' ' A' ' 100' ' ' LYS . 4.0 tp-100 -130.75 124.74 32.13 Favored 'General case' 0 C--N 1.312 -1.033 0 C-N-CA 120.106 -0.638 . . . . 0.0 110.679 -175.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.62 HG23 ' HB3' ' A' ' 100' ' ' LYS . 0.2 OUTLIER -112.6 124.67 53.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.792 -179.88 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -103.93 109.33 21.05 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 174.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 29.8 m -102.33 106.92 17.78 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 176.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . 0.526 ' HD1' ' O ' ' A' ' 76' ' ' GLU . 8.9 t80 -112.26 118.07 34.28 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.253 -176.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 65.14 -60.54 0.24 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 124.193 0.933 . . . . 0.0 112.065 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -170.03 33.14 0.16 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.422 177.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.511 ' O ' ' HA ' ' A' ' 93' ' ' THR . 7.5 m -141.6 134.16 28.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 175.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -109.07 130.5 55.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.076 0.465 . . . . 0.0 111.22 -178.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -122.53 121.21 35.99 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.473 176.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.62 ' HB3' HG23 ' A' ' 91' ' ' THR . 11.0 pttm -113.71 146.38 39.92 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.264 0.554 . . . . 0.0 111.971 -176.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -140.9 139.25 34.33 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.4 mp -102.88 134.63 43.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.02 0.438 . . . . 0.0 111.527 -170.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -137.13 161.68 35.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.509 178.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.78 156.62 43.28 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 110.124 -0.324 . . . . 0.0 110.124 178.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LYS . . . . . 0.591 ' HA ' ' HB3' ' A' ' 6' ' ' TRP . 62.7 tttm -70.12 141.93 52.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.707 0.289 . . . . 0.0 110.613 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.274 -0.87 . . . . 0.0 109.933 177.189 . . . . . . . . 0 0 . 1 stop_ save_