data_2lxz_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 2lxz _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 ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' ARG . 33.7 m -123.12 109.33 13.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.191 0.519 . . . . 0.0 110.838 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.2 m -85.12 135.61 33.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.681 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.731 ' HH ' HH11 ' A' ' 32' ' ' ARG . 54.3 p90 -163.96 156.21 17.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.54 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.6 m -92.85 146.75 23.4 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.683 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.649 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 8.2 ptm180 -141.6 157.78 44.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.907 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.561 ' OG1' ' O ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -85.08 66.76 9.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.524 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.436 ' C ' HH11 ' A' ' 28' ' ' ARG . . . 140.9 -169.49 24.9 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.649 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 60.0 mtm-85 -72.15 157.53 37.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.812 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.644 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 1.7 m -105.14 -166.5 1.23 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.447 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.439 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -83.83 163.61 20.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.725 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 84.1 m -61.63 -43.5 98.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.648 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 -57.6 -28.79 63.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.694 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.9 mt-10 -74.08 171.25 13.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.675 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.3 p -140.49 131.77 26.64 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -75.91 126.43 30.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.151 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.653 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 61.8 p -108.54 -21.22 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.13 -179.86 40.55 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -97.24 119.2 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 0.0 110.255 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.687 ' N ' ' O ' ' A' ' 27' ' ' TYR . 5.4 m -78.67 178.28 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.457 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -146.12 108.15 4.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.992 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.449 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 47.8 mt -130.69 135.1 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.755 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p 58.08 26.88 14.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.01 -6.97 60.93 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -98.12 142.82 29.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 110.616 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 pp -72.38 128.77 36.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.738 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.687 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.9 m-85 -114.75 161.65 17.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.232 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.462 HH11 ' N ' ' A' ' 9' ' ' ARG . 68.8 mtt180 -101.5 133.6 45.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.653 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 42.8 tp -101.98 108.57 20.06 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.727 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.694 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.6 p -112.06 148.21 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.2 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 15' ' ' SER . 54.6 m -125.13 133.46 52.83 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.311 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.731 HH11 ' HH ' ' A' ' 4' ' ' TYR . 8.3 ptm180 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.958 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.3 m -123.0 109.87 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.041 0.448 . . . . 0.0 110.574 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.7 m -85.75 135.46 33.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.758 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.576 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 50.1 p90 -163.28 153.86 16.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.463 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.7 m -90.71 141.48 28.75 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.74 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.791 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 1.9 ptp180 -137.8 152.63 49.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.696 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -81.7 77.32 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 179.357 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.42 -173.07 20.95 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.688 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 21.3 mtm180 -70.98 156.42 39.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.395 . . . . 0.0 110.789 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.791 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.1 m -104.66 -167.52 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.626 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.417 ' CA ' ' HG3' ' A' ' 14' ' ' GLU . . . -80.7 160.02 25.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.545 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.7 m -60.4 -42.7 96.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -58.51 -31.03 67.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.369 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.685 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -70.56 166.85 19.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.68 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 31' ' ' CYS . 5.9 p -135.06 132.62 38.43 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.24 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -77.28 128.05 33.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.912 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.6 ' HG ' ' CD2' ' A' ' 29' ' ' LEU . 67.7 p -109.16 -22.02 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.15 -179.92 41.52 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.416 ' CG2' HD21 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.7 124.87 49.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.181 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.638 ' N ' ' O ' ' A' ' 27' ' ' TYR . 7.4 m -87.53 176.48 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.487 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -142.84 109.77 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.306 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.489 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 64.7 mt -132.05 135.11 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.663 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 p 58.45 26.56 14.35 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.762 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 -10.37 55.63 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 25' ' ' ARG . 42.4 ttm180 -96.59 147.58 23.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.855 0.359 . . . . 0.0 110.594 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.416 HD21 ' CG2' ' A' ' 19' ' ' VAL . 78.4 mt -75.16 132.23 41.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.638 ' O ' ' N ' ' A' ' 20' ' ' CYS . 5.9 m-85 -115.44 163.4 15.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.464 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 2.5 mpt_? -103.47 132.36 49.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.186 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.6 ' CD2' ' HG ' ' A' ' 17' ' ' SER . 38.5 tp -100.76 102.63 13.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.304 . . . . 0.0 110.768 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.685 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.4 p -107.55 144.13 35.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.54 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' SER . 40.1 m -119.82 132.57 55.63 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.281 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.439 ' HD3' ' HH ' ' A' ' 4' ' ' TYR . 8.7 ptt180 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.566 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.3 m -123.17 110.99 15.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.558 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.8 m -86.06 135.65 33.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.935 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.561 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 48.7 p90 -163.86 150.77 11.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.6 m -90.66 147.14 23.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.673 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 8.4 ptm180 -141.12 158.0 44.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.744 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.644 ' O ' ' CG2' ' A' ' 7' ' ' THR . 7.1 t -84.28 70.56 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.591 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 136.97 -178.2 19.12 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.641 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 51.2 ttt85 -64.22 159.34 20.94 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.816 0.341 . . . . 0.0 110.526 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.673 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.9 m -108.75 -165.63 1.04 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.488 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.25 160.01 21.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.631 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.7 m -60.79 -42.37 97.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.471 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -57.72 -31.24 66.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.179 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -70.45 172.53 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' CYS . 5.1 p -138.3 131.38 30.02 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -77.18 129.34 35.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.071 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.658 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 83.9 p -109.97 -28.93 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.799 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.74 -179.99 43.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' CG2' HD23 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.58 117.37 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.452 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 43.0 m -77.59 -163.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.15 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' H ' ' HB3' ' A' ' 20' ' ' CYS . 44.0 tt0 -163.34 107.84 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.098 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.586 ' O ' ' OG ' ' A' ' 23' ' ' SER . 7.1 mm -124.49 135.44 63.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.586 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER 57.22 25.16 10.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.55 -15.49 54.33 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' NH2' ' OG1' ' A' ' 7' ' ' THR . 60.8 ttp180 -88.36 153.46 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.637 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.407 HD23 ' CG2' ' A' ' 19' ' ' VAL . 76.2 mt -79.64 131.35 35.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.3 m-85 -117.95 153.69 33.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -96.44 135.35 38.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.277 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.658 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 42.0 tp -103.51 110.04 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.777 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 25.9 p -115.45 144.38 43.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.519 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' SER . 36.2 m -121.98 137.84 54.65 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.265 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.554 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 23.3 ptt180 . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.705 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 32' ' ' ARG . 25.6 m -122.84 107.56 12.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.515 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.7 m -87.85 135.67 33.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.696 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.557 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 55.0 p90 -160.37 153.84 22.21 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m -89.99 142.39 27.75 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.722 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.793 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -137.22 156.61 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.631 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 t -83.63 66.78 9.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.556 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.553 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 138.93 -170.73 23.91 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.632 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 20.4 ttp180 -71.89 156.97 38.68 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 120.847 0.356 . . . . 0.0 110.605 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.793 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.6 m -104.62 -165.46 1.14 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.584 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -83.18 162.97 21.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.659 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -60.56 -43.21 97.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -57.73 -29.16 64.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.329 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.674 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.1 mt-10 -73.98 165.4 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 31' ' ' CYS . 5.0 p -132.98 132.79 42.33 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.76 131.09 37.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.901 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.641 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 87.1 p -111.8 -27.58 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.68 -179.84 44.8 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 p -96.72 117.44 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.361 . . . . 0.0 110.189 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 27' ' ' TYR . 6.5 m -78.45 175.05 10.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.623 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -140.55 107.73 5.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.019 179.743 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.497 ' O ' ' OG ' ' A' ' 23' ' ' SER . 71.1 mt -132.01 141.28 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.697 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.1 p 53.96 22.99 3.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.609 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.0 -17.19 43.07 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -91.96 145.02 24.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.0 110.583 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 pp -71.15 132.09 44.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.693 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.1 m-85 -114.48 161.7 17.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.588 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -101.37 131.78 47.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.272 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.641 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 47.0 tp -101.3 105.81 16.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.848 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.674 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.8 p -110.43 144.11 39.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.3 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' SER . 31.2 m -119.3 136.63 54.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.521 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 2' ' ' THR . 24.6 ptt85 . . . . . 0 C--O 1.216 -0.665 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.875 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.586 ' N ' ' O ' ' A' ' 32' ' ' ARG . 53.5 m -122.12 107.73 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.483 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.6 m -85.21 136.33 33.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.775 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.64 ' CZ ' ' SG ' ' A' ' 30' ' ' CYS . 47.9 p90 -163.6 152.95 14.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.484 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.0 m -90.54 140.72 29.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.664 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.0 ptm180 -135.88 157.37 47.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 t -87.71 64.07 7.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.441 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.656 ' O ' ' NE ' ' A' ' 6' ' ' ARG . . . 144.77 -172.92 25.51 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.616 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 48.1 ttp180 -69.38 157.56 36.81 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.943 0.402 . . . . 0.0 110.582 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.664 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 8.7 m -107.89 -167.16 1.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.474 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.424 ' CB ' ' HG3' ' A' ' 14' ' ' GLU . . . -80.2 158.42 26.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.627 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -60.62 -42.05 96.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.376 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -58.6 -30.74 67.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.466 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.659 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.9 mt-10 -70.78 173.63 7.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.418 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.496 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 p -136.18 129.47 31.73 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.015 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.4 126.53 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.636 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 52.7 p -105.38 -28.34 10.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.93 -179.86 42.01 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.37 117.5 40.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.929 0.395 . . . . 0.0 110.1 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 10.7 m -73.81 -173.84 1.64 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.455 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -152.32 105.24 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.331 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.528 ' O ' ' OG ' ' A' ' 23' ' ' SER . 6.3 mm -122.24 132.84 70.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.711 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.528 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER 54.85 30.69 14.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.718 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.32 -14.35 40.52 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 78.7 ttt180 -87.59 155.93 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.693 0.282 . . . . 0.0 110.454 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 8.7 mp -86.81 130.37 34.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 20' ' ' CYS . 8.3 m-85 -116.97 156.38 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.552 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -96.0 132.51 41.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.113 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.636 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 30.8 tp -105.01 113.53 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 16.3 p -120.72 144.07 48.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.466 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.473 ' N ' ' O ' ' A' ' 15' ' ' SER . 53.3 m -118.97 137.81 53.24 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.304 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.586 ' O ' ' N ' ' A' ' 2' ' ' THR . 28.6 ptt180 . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.669 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.7 m -120.8 111.31 17.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -86.16 135.62 33.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.745 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.581 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 48.0 p90 -162.13 154.2 19.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.5 m -91.13 142.44 27.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.35 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.673 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.6 ptm180 -137.72 157.3 46.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.633 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.636 ' O ' ' CG2' ' A' ' 7' ' ' THR . 7.1 t -87.4 66.44 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.628 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.459 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 143.51 -170.0 25.74 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.581 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 50.0 ttp180 -72.31 155.66 39.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.898 0.38 . . . . 0.0 110.583 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.673 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 8.8 m -105.3 -166.45 1.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.535 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.425 ' CB ' ' HG3' ' A' ' 14' ' ' GLU . . . -81.67 159.43 23.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.544 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -61.28 -42.58 98.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.512 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -58.59 -29.42 66.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.402 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.669 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.8 mt-10 -72.64 169.87 15.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.503 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 6.0 p -134.98 132.88 38.88 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.19 125.92 30.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.82 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.651 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 77.3 p -105.35 -21.34 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.77 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.95 -179.83 39.92 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.1 p -96.41 117.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.003 0.43 . . . . 0.0 110.173 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.7 ' N ' ' O ' ' A' ' 27' ' ' TYR . 5.2 m -76.85 177.31 7.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.458 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -143.48 107.5 4.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.2 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.456 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 75.4 mt -132.08 132.55 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 25' ' ' ARG . 4.9 p 56.8 41.87 27.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.761 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.11 -5.19 2.86 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.496 ' H ' ' C ' ' A' ' 23' ' ' SER . 67.8 ttt180 -101.84 139.73 37.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.79 135.96 48.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.699 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.2 m-85 -119.84 162.68 18.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -102.13 131.39 48.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.228 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.651 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 39.7 tp -101.66 104.17 14.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.731 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.669 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 19.7 p -110.52 142.92 41.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' SER . 39.5 m -118.62 135.88 54.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.371 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.3 ptt85 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.713 -179.509 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 32' ' ' ARG . 54.3 m -122.45 108.35 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.9 m -86.82 135.7 33.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.524 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.581 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 43.8 p90 -162.54 152.85 16.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.563 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.08 142.04 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.644 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.798 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -136.73 152.67 50.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.596 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 t -83.95 60.34 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.551 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.494 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 151.69 -166.62 30.84 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.681 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 47.8 mtt85 -75.53 158.74 32.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.963 0.411 . . . . 0.0 110.879 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.798 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.0 m -109.12 -169.93 1.57 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.689 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.416 ' CB ' ' HG3' ' A' ' 14' ' ' GLU . . . -80.4 160.77 25.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.425 . . . . 0.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.7 m -61.43 -41.92 97.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -58.95 -30.41 67.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.403 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.684 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.5 mt-10 -71.15 169.47 15.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.581 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.556 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.0 p -138.22 134.23 34.2 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.4 126.96 31.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.767 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.62 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 80.8 p -106.47 -19.97 13.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.22 -179.68 40.15 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.408 ' CG2' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -96.33 117.63 41.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 110.213 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.672 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.2 m -78.7 174.58 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.535 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.1 mp0 -141.77 108.02 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.039 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.481 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 68.4 mt -130.39 135.98 59.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 p 57.54 25.78 11.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.847 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.52 1.28 86.22 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.4 ttm-85 -106.67 146.55 30.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.762 0.315 . . . . 0.0 110.525 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.408 HD22 ' CG2' ' A' ' 19' ' ' VAL . 97.3 mt -70.71 132.0 44.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.807 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.672 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.4 m-85 -119.83 160.54 22.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.489 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -102.34 131.65 48.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.375 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.62 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 39.7 tp -102.63 101.7 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 25.6 p -105.48 144.52 32.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.421 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.556 ' N ' ' O ' ' A' ' 15' ' ' SER . 36.9 m -120.91 132.67 55.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.276 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 2' ' ' THR . 22.6 ptt85 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.583 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' ARG . 52.4 m -121.98 109.14 14.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.599 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -87.3 135.99 33.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.57 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.585 ' CZ ' ' SG ' ' A' ' 30' ' ' CYS . 50.1 p90 -161.92 153.49 18.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.353 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.3 m -90.31 146.56 24.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 1.5 ptp180 -141.41 156.46 45.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.562 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 25.6 m -83.27 59.54 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 148.77 -164.7 29.16 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.697 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 29.6 mtm180 -79.0 157.99 28.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.8 m -104.51 -166.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.44 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.459 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -82.83 162.78 21.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.599 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -60.59 -43.23 97.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.468 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -57.75 -30.61 65.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.339 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -71.33 164.56 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.71 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.564 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.2 p -130.69 133.03 45.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.01 126.0 30.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.735 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.646 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 54.0 p -106.33 -23.21 12.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.699 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.05 -179.96 42.01 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.432 ' CG2' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.37 117.52 40.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.878 0.37 . . . . 0.0 110.314 -179.745 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.685 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.9 m -78.67 177.64 8.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.579 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -148.64 112.42 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.25 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.558 ' O ' ' OG ' ' A' ' 23' ' ' SER . 5.5 mm -128.57 133.44 66.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.558 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 2.9 p 54.89 29.76 12.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.444 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.74 -16.87 23.93 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 59.1 ttt-85 -83.0 154.55 24.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.81 0.338 . . . . 0.0 110.5 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 3.8 mm? -81.11 131.11 35.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.685 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.7 m-85 -120.34 155.24 33.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.608 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 8.2 mpt_? -100.45 134.9 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.46 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.646 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 40.9 tp -104.08 105.2 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.6 p -110.7 146.89 35.47 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.372 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' A' ' 15' ' ' SER . 35.4 m -122.94 141.23 52.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.562 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.574 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 27.5 ptt180 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.736 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' ARG . 58.8 m -123.28 111.12 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.674 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.1 m -87.45 135.67 33.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.692 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.78 ' HH ' ' NH1' ' A' ' 32' ' ' ARG . 53.5 p90 -161.35 154.65 21.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.512 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.3 m -91.0 141.66 28.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.464 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.797 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -139.67 155.11 47.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.627 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.401 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 6.7 m -80.03 72.9 6.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.471 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.422 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 132.24 -174.38 20.33 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -70.27 160.47 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.767 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.797 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.6 m -105.42 -163.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.656 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -85.39 164.99 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -61.0 -42.71 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -57.72 -29.07 64.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.118 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.676 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.8 mt-10 -75.48 170.37 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.525 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.5 p -137.49 132.55 33.46 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.902 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -78.48 124.96 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.73 0.644 . . . . 0.0 110.868 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.646 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 54.8 p -106.23 -22.63 12.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.15 -179.79 40.6 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -96.49 117.13 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.954 0.407 . . . . 0.0 110.156 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.699 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.7 m -74.87 175.5 7.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -141.5 107.08 5.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.966 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.472 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 70.1 mt -129.97 136.48 58.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.48 ' C ' ' H ' ' A' ' 25' ' ' ARG . 1.2 p 51.29 38.18 20.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.731 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.56 -14.17 3.48 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 23' ' ' SER . 57.4 ttp180 -93.13 139.46 30.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.951 0.405 . . . . 0.0 110.654 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.0 mp -71.35 137.16 48.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.801 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.699 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.5 m-85 -120.58 161.27 21.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.572 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.499 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 6.7 mpt_? -99.3 129.43 45.52 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.646 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 44.5 tp -100.18 107.48 19.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.098 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.676 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.3 p -112.64 146.87 37.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.401 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' SER . 44.0 m -122.67 138.52 54.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.484 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.78 ' NH1' ' HH ' ' A' ' 4' ' ' TYR . 28.0 ptt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.822 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' ARG . 94.2 m -120.28 109.79 15.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.462 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.2 m -86.35 135.62 33.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.588 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 53.0 p90 -165.05 153.15 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.1 m -90.79 145.75 24.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.79 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 4.3 ptp180 -143.54 154.85 44.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.465 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.474 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 6.6 m -80.84 75.33 7.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.464 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.424 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 131.94 176.75 14.54 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.437 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 56.5 ttp180 -62.62 157.87 19.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.732 0.301 . . . . 0.0 110.386 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.79 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 11.8 m -104.47 -166.06 1.2 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.51 163.35 21.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.687 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.4 m -60.37 -42.8 96.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 mmt-85 -58.23 -29.7 65.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.367 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.671 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -74.88 163.26 27.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.531 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.578 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.2 p -131.63 134.44 45.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.756 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD13 ' N ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -77.52 123.84 27.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.598 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 38.9 p -103.89 -28.46 11.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.752 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.6 -179.75 46.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 p -96.58 117.98 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.399 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.709 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.3 m -81.02 -175.67 5.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.447 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -153.09 113.91 4.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.464 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.458 ' O ' ' OG ' ' A' ' 23' ' ' SER . 7.0 mm -131.34 139.9 49.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.617 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.5 p 52.3 23.1 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.66 -24.27 18.33 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -80.89 141.33 34.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.312 . . . . 0.0 110.722 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.608 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -67.93 134.06 50.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.026 0.441 . . . . 0.0 110.673 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.709 ' O ' ' N ' ' A' ' 20' ' ' CYS . 5.1 m-85 -118.06 159.39 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.737 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -102.9 132.03 49.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.204 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.598 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 42.4 tp -101.14 108.44 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.671 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 24.6 p -111.45 146.81 36.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.441 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.578 ' N ' ' O ' ' A' ' 15' ' ' SER . 36.9 m -122.95 134.14 54.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.345 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 2' ' ' THR . 6.0 ptm180 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.686 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' ARG . 45.2 m -118.43 108.53 15.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.396 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.9 m -87.44 135.91 33.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.834 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.665 ' OH ' ' NH1' ' A' ' 32' ' ' ARG . 55.6 p90 -164.85 154.76 13.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.451 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.2 m -90.86 143.08 27.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.371 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.688 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.2 ptm180 -137.12 157.92 45.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.614 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 28.8 m -85.55 73.08 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.403 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.18 -172.84 21.31 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.558 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 19.9 tpt85 -69.19 155.93 39.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.825 0.345 . . . . 0.0 110.343 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.688 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 6.8 m -104.56 -167.26 1.33 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.376 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.38 160.78 25.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -61.35 -42.77 99.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.745 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -58.38 -29.51 66.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.373 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.7 mt-10 -72.95 167.8 20.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.1 p -132.68 130.7 40.45 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.993 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.92 111.93 14.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.834 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.639 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 36.7 p -91.34 -22.45 20.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.935 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.35 -179.67 41.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 19' ' ' VAL . 8.3 p -96.44 126.13 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.261 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.671 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.3 m -91.16 168.95 11.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.448 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -142.37 112.3 6.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.99 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.502 ' O ' ' OG ' ' A' ' 23' ' ' SER . 54.8 mt -128.51 135.7 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.682 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER 54.01 36.52 24.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.952 0.406 . . . . 0.0 110.663 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.65 -11.48 7.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 55.8 ttt85 -87.02 158.19 19.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.836 0.351 . . . . 0.0 110.569 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.447 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 15.9 tp -88.2 125.58 34.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.47 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.671 ' O ' ' N ' ' A' ' 20' ' ' CYS . 7.9 m-85 -116.38 159.54 21.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.546 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.516 ' NH1' ' CD ' ' A' ' 9' ' ' ARG . 99.5 mtt180 -107.45 135.74 48.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.492 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.639 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 46.4 tp -101.35 108.03 19.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.59 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 20.6 p -112.96 146.15 39.52 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.284 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 15' ' ' SER . 48.0 m -123.19 139.2 54.3 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.362 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.665 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 27.3 ptt180 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.989 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.5 m -123.07 112.1 17.35 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.542 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -86.43 135.66 33.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.762 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.406 ' N ' HD11 ' A' ' 29' ' ' LEU . 53.1 p90 -161.46 155.25 21.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.627 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.6 m -90.75 142.52 27.67 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.358 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.707 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 4.8 ptm180 -136.16 157.97 45.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.766 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 7' ' ' THR . 8.3 t -85.83 74.43 10.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.661 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.447 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 132.02 -163.11 23.92 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.578 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -76.67 158.36 31.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.29 0.567 . . . . 0.0 110.592 179.493 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.707 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 15.4 m -106.1 -163.13 0.91 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.42 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.92 159.96 18.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.7 m -60.92 -42.59 98.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -57.89 -30.13 65.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.389 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.678 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.9 mt-10 -72.05 174.8 6.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.627 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.5 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.5 p -137.68 128.63 27.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 126.71 31.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.663 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.641 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 68.4 p -107.36 -21.31 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.04 -179.73 40.02 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 19' ' ' VAL . 7.8 p -96.47 117.68 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.04 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.688 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.4 m -75.69 173.48 11.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.58 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -139.24 106.56 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.14 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.497 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 69.7 mt -129.23 135.34 62.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.3 p 53.48 37.23 25.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.781 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.6 -1.61 27.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -103.7 148.39 26.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.475 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 2.7 mm? -76.85 134.31 39.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.799 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.688 ' O ' ' N ' ' A' ' 20' ' ' CYS . 7.2 m-85 -120.95 161.89 20.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.573 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.403 ' NH1' HG23 ' A' ' 19' ' ' VAL . 26.4 mmt180 -101.66 131.67 47.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.116 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.641 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 42.1 tp -102.86 103.69 13.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.754 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.678 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 15.4 p -111.0 143.61 41.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.474 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' SER . 34.9 m -118.06 139.29 51.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.328 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 32' ' ' ARG . 10.6 ptt180 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.883 -1.056 . . . . 0.0 110.631 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 32' ' ' ARG . 99.5 m -122.18 110.49 15.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.557 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.3 m -85.83 135.54 33.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.705 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.558 ' OH ' ' NH1' ' A' ' 32' ' ' ARG . 44.2 p90 -164.85 153.69 12.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.618 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m -90.04 142.17 27.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.592 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.6 OUTLIER -136.59 155.85 49.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.685 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.614 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 29.1 m -81.33 71.55 8.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.573 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.09 -176.99 19.26 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -66.34 156.9 33.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.796 0.331 . . . . 0.0 110.431 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 6.4 m -104.51 -169.41 1.62 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.428 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -79.6 161.58 25.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.7 m -59.65 -42.53 93.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.421 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 13' ' ' ARG . 80.3 mmt-85 -58.16 -30.57 66.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.289 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.647 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.1 mt-10 -71.96 162.9 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.724 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.571 ' O ' ' N ' ' A' ' 31' ' ' CYS . 3.9 p -130.01 133.14 46.56 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.85 126.15 30.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.034 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.628 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 45.3 p -106.44 -21.7 13.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.62 -179.65 41.96 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.2 p -96.51 126.24 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.228 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.674 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.8 m -92.38 172.12 8.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.719 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -145.49 111.99 5.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.054 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.456 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 59.0 mt -132.56 140.9 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.774 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 p 58.49 24.42 11.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.551 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.68 1.7 87.16 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 57.2 ttp180 -105.39 158.81 16.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.791 0.329 . . . . 0.0 110.756 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.452 ' C ' ' CD2' ' A' ' 26' ' ' LEU . 8.3 tt -79.05 130.48 35.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.674 ' O ' ' N ' ' A' ' 20' ' ' CYS . 7.8 m-85 -121.61 156.9 31.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.589 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -105.2 135.02 47.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.195 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.628 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 42.8 tp -102.04 103.54 14.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.647 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.9 p -109.24 145.84 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.461 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.571 ' N ' ' O ' ' A' ' 15' ' ' SER . 37.2 m -120.67 139.3 53.21 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.255 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.558 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 29.9 ptt180 . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.647 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.8 m -116.71 110.72 18.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.932 0.396 . . . . 0.0 110.533 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.5 m -86.68 135.79 33.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.699 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.59 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 54.4 p90 -162.56 157.17 21.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.489 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.2 m -92.58 141.95 27.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.657 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 6.7 ptm180 -137.15 157.22 47.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.746 ' HG1' ' HH ' ' A' ' 27' ' ' TYR . 86.2 m -83.26 64.95 8.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.598 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 140.71 -170.04 24.64 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.657 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 44.2 mtt180 -74.27 158.67 33.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.632 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.4 m -104.65 -164.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.638 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -86.57 163.77 17.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.595 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -59.49 -42.19 91.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -57.27 -30.35 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.391 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.684 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -74.66 167.6 21.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.507 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.569 ' O ' ' N ' ' A' ' 31' ' ' CYS . 2.5 p -134.33 130.98 37.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.15 127.95 33.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.74 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.66 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 67.7 p -108.58 -23.92 11.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.763 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.8 -179.95 42.44 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG23 ' NH1' ' A' ' 28' ' ' ARG . 12.3 p -96.24 117.29 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.971 0.415 . . . . 0.0 110.246 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.8 m -77.2 173.75 11.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.658 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -141.96 108.47 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.115 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.504 ' O ' ' OG ' ' A' ' 23' ' ' SER . 75.5 mt -128.7 135.29 62.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.811 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER 54.92 26.41 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.654 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.42 -12.15 52.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -91.37 147.17 23.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.484 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.0 mt -74.55 133.99 42.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.746 ' HH ' ' HG1' ' A' ' 7' ' ' THR . 6.4 m-85 -121.2 159.73 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.701 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' NH1' HG23 ' A' ' 19' ' ' VAL . 81.6 mmt-85 -100.91 131.81 46.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.245 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.66 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 48.2 tp -101.83 101.66 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.68 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.6 p -108.13 145.72 33.71 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.407 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' A' ' 15' ' ' SER . 35.6 m -120.78 133.32 55.33 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.301 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.581 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 23.9 ptt180 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.721 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.7 m -120.84 111.21 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.717 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -88.08 135.69 33.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.592 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.584 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 48.4 p90 -160.13 151.01 18.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.518 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.3 m -90.46 142.82 27.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.553 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.823 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 3.3 ptp180 -138.81 152.35 47.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.453 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.425 ' CB ' HH22 ' A' ' 25' ' ' ARG . 2.8 t -79.28 63.47 3.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.708 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.21 -171.51 27.86 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -73.65 159.06 33.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.747 0.308 . . . . 0.0 110.73 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.823 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 3.9 m -106.11 -167.75 1.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.556 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.459 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -81.53 162.13 23.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.656 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -60.23 -43.4 96.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.52 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -58.1 -29.32 65.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.458 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.678 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -72.13 166.9 21.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.526 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.3 p -134.01 134.1 42.06 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -79.5 125.59 29.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.588 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.635 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 62.1 p -104.52 -24.57 13.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.709 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.55 -179.6 41.41 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 19' ' ' VAL . 12.3 p -96.61 120.46 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.152 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 4.9 m -81.35 178.13 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.697 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -142.27 106.02 4.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.317 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.473 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 68.8 mt -129.73 138.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.791 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 p 58.32 25.31 12.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.698 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.17 5.57 89.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.807 ' NH2' ' CZ ' ' A' ' 27' ' ' TYR . 69.4 ttp85 -113.03 153.12 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.472 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.8 mt -75.78 132.02 40.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.807 ' CZ ' ' NH2' ' A' ' 25' ' ' ARG . 5.7 m-85 -117.93 161.16 20.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.64 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -100.41 129.58 46.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.177 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.635 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 41.5 tp -101.69 105.26 16.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.678 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 28.0 p -109.41 145.35 36.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 15' ' ' SER . 33.1 m -120.85 140.3 51.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.535 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 18.3 ptt85 . . . . . 0 C--O 1.218 -0.572 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.64 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.5 m -122.19 107.02 11.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.551 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.4 m -86.73 135.54 33.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.801 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.571 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 53.7 p90 -163.49 153.67 15.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.457 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m -90.06 141.82 28.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.528 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.786 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -137.69 157.62 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.696 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.38 73.29 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.437 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.481 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 134.23 -170.87 22.41 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.613 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 56.0 ttp180 -70.42 156.21 39.66 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.825 0.345 . . . . 0.0 110.47 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.786 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.0 m -104.72 -168.35 1.47 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.441 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.41 ' CA ' ' HG3' ' A' ' 14' ' ' GLU . . . -79.59 160.85 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.1 m -60.52 -43.51 97.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.65 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -58.12 -29.96 65.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.424 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.686 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.5 mt-10 -71.66 166.28 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.675 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.4 p -135.63 133.33 38.1 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.91 125.71 29.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.68 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.648 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 59.0 p -106.59 -26.8 11.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.775 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.18 -179.74 45.33 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.4 p -96.52 121.57 47.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.891 0.377 . . . . 0.0 110.245 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.649 ' N ' ' O ' ' A' ' 27' ' ' TYR . 7.5 m -83.32 -178.65 7.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.68 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -150.54 106.76 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.206 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.7 mt -130.2 134.3 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 p 61.04 27.09 16.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.71 -0.53 81.58 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -105.87 141.31 37.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 110.747 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 26' ' ' LEU . 2.3 pp -70.19 126.77 30.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.621 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.649 ' O ' ' N ' ' A' ' 20' ' ' CYS . 4.8 m-85 -111.2 164.66 12.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.538 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -103.15 132.71 49.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.111 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.648 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 43.7 tp -101.84 104.54 15.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.76 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.686 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 24.2 p -109.02 146.16 34.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.408 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' A' ' 15' ' ' SER . 42.3 m -123.18 131.52 53.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.395 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.692 -179.86 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.555 ' N ' ' O ' ' A' ' 32' ' ' ARG . 52.0 m -121.93 111.66 17.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.57 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -85.62 135.74 33.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.655 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.558 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 42.9 p90 -165.61 149.99 8.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.457 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.2 m -91.49 139.52 30.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.685 ' NH1' ' O ' ' A' ' 9' ' ' ARG . 6.9 ptm180 -138.98 152.31 47.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.35 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -76.7 82.22 3.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.808 179.642 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.675 ' C ' ' NH1' ' A' ' 6' ' ' ARG . . . 131.91 -167.37 22.82 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.685 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 76.1 ttt180 -80.67 158.84 25.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 110.65 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.524 ' SG ' ' HD2' ' A' ' 6' ' ' ARG . 1.8 m -104.53 -164.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.546 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.47 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -84.71 161.6 19.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -59.77 -42.18 92.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.359 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -57.59 -31.36 66.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.311 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.704 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.8 mt-10 -71.03 170.23 13.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.53 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 4.4 p -136.58 134.23 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.764 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.81 122.46 26.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.815 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.651 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 58.5 p -102.49 -23.4 13.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.782 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.45 179.88 40.55 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.406 ' CG2' HD12 ' A' ' 26' ' ' LEU . 1.4 p -96.41 118.41 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 0.0 110.373 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.691 ' N ' ' O ' ' A' ' 27' ' ' TYR . 6.9 m -79.85 -169.74 2.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.454 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -163.3 113.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.351 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.578 ' O ' ' OG ' ' A' ' 23' ' ' SER . 5.4 mm -127.7 134.83 64.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.578 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.6 p 55.88 22.94 6.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.481 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.14 -21.53 33.95 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -79.4 151.18 31.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.869 0.366 . . . . 0.0 110.575 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.476 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 3.3 mm? -76.07 139.81 41.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.691 ' O ' ' N ' ' A' ' 20' ' ' CYS . 11.3 m-85 -130.99 152.61 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.579 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -100.52 134.23 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.478 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.651 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 37.7 tp -102.29 111.8 24.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.762 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.704 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 30.9 p -116.55 144.06 44.83 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.503 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' SER . 40.0 m -121.38 131.57 54.26 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.465 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 2' ' ' THR . 15.0 ptt180 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.611 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.6 m -120.88 109.66 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.555 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.7 m -87.42 135.89 33.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.572 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 53.4 p90 -162.08 152.38 17.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.511 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.8 m -92.69 144.04 25.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.396 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.677 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 7.6 ptm180 -136.78 157.53 46.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.631 ' O ' ' CG2' ' A' ' 7' ' ' THR . 6.7 t -86.17 63.59 8.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.694 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.489 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 145.88 -172.9 26.41 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.648 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 66.0 ttp85 -69.04 154.66 41.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.833 0.349 . . . . 0.0 110.523 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.677 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.9 m -104.67 -167.08 1.31 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.575 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.44 ' CB ' ' HG3' ' A' ' 14' ' ' GLU . . . -81.69 156.81 24.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.664 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -59.96 -43.0 95.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.685 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 13' ' ' ARG . 37.3 mmt180 -57.9 -30.72 66.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.332 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.659 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 3.0 mt-10 -69.32 172.6 6.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.43 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.8 p -132.55 128.83 38.1 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.779 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.433 HD11 ' N ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -80.47 125.02 29.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.733 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.627 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 59.7 p -102.7 -45.58 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.47 -179.87 42.8 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.438 ' CG2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.75 116.34 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 110.476 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 27' ' ' TYR . 56.1 m -75.84 -167.43 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.265 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' HD11 ' A' ' 22' ' ' ILE . 80.2 tt0 -157.95 106.95 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.342 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.573 ' O ' ' OG ' ' A' ' 23' ' ' SER . 7.2 mm -124.37 131.62 72.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.797 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.573 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 4.1 p 55.11 32.76 18.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.694 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.12 -12.47 24.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 7.7 tpp85 -90.42 142.14 28.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.801 0.334 . . . . 0.0 110.411 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 79.7 mt -71.31 133.37 45.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.946 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.673 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.4 m-85 -120.78 149.89 41.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.628 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -94.93 135.52 36.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.341 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.627 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 44.9 tp -104.07 110.79 23.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 22.9 p -117.56 141.85 47.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.586 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' SER . 35.3 m -118.9 139.85 50.96 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.271 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.658 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 7.7 ptm180 . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.703 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 32' ' ' ARG . 86.9 m -118.54 110.28 17.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.188 0.518 . . . . 0.0 110.51 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.8 m -86.84 135.59 33.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.817 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.482 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 43.9 p90 -165.25 154.59 12.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.802 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.85 147.42 23.18 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.577 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -138.55 156.47 47.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.759 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.633 ' O ' ' CG2' ' A' ' 7' ' ' THR . 10.2 t -82.67 71.17 9.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.608 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.584 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.57 -178.37 18.32 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.411 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 59.6 ttp180 -63.04 156.7 24.01 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.476 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.5 m -104.5 -170.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.374 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.444 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -83.01 163.79 20.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.695 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 m -61.14 -42.82 99.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.606 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -58.31 -29.31 65.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.303 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.704 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -73.02 165.56 24.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.365 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.478 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 3.3 p -130.43 126.06 36.03 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.187 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -75.41 129.84 37.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.01 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.597 ' HG ' ' CD2' ' A' ' 29' ' ' LEU . 77.1 p -113.14 -21.4 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.43 -179.85 40.17 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 p -96.92 115.25 35.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.94 0.4 . . . . 0.0 110.205 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.687 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.3 m -73.82 175.52 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.511 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -142.31 108.04 5.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.195 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.57 ' O ' ' OG ' ' A' ' 23' ' ' SER . 57.1 mt -127.25 133.49 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.57 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.4 p 55.74 24.53 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.931 0.396 . . . . 0.0 110.799 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.07 -19.54 41.86 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -86.99 142.63 27.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.841 0.353 . . . . 0.0 110.805 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 26' ' ' LEU . 11.2 mp -75.93 132.03 40.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.439 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.687 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.4 m-85 -115.05 163.78 15.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.464 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -98.21 128.84 44.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.597 ' CD2' ' HG ' ' A' ' 17' ' ' SER . 39.6 tp -99.26 102.91 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.443 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.704 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.8 p -113.27 146.86 38.66 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.211 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' SER . 44.8 m -122.02 143.5 49.46 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.192 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.604 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 11.2 ptm180 . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.808 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 48.2 m -115.52 109.49 17.89 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.0 m -87.84 137.07 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.79 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' TYR . . . . . 0.624 ' CZ ' ' SG ' ' A' ' 30' ' ' CYS . 54.4 p90 -164.14 153.1 13.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m -89.91 143.72 26.54 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.661 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.645 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.5 ptm180 -139.58 154.74 47.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.47 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.587 ' OG1' ' O ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -82.4 65.31 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.003 0.43 . . . . 0.0 110.554 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.552 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 142.43 -170.36 25.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.627 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 47.5 mtt-85 -73.67 157.38 36.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.965 0.412 . . . . 0.0 110.805 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.645 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 6.4 m -104.83 -164.13 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.756 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -83.94 162.44 20.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.73 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.3 m -60.56 -42.98 97.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -58.18 -30.02 66.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.671 ' OE2' ' NH1' ' A' ' 32' ' ' ARG . 2.0 mt-10 -72.46 169.91 15.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.608 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 31' ' ' CYS . 3.2 p -136.03 131.42 34.94 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.74 125.33 29.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.638 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 58.5 p -104.98 -23.05 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.017 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.63 -179.82 40.82 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.583 ' CG1' ' O ' ' A' ' 19' ' ' VAL . 3.4 p -96.36 116.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.686 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.3 m -73.87 174.52 8.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.566 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.0 mp0 -143.63 105.48 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.914 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.3 mt -127.38 135.72 62.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 p 59.43 23.41 11.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.699 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.9 4.62 90.24 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -108.65 152.92 24.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 110.694 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 2.5 mm? -78.25 131.79 37.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.697 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.686 ' O ' ' N ' ' A' ' 20' ' ' CYS . 9.1 m-85 -121.45 160.44 24.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.618 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 7.0 mpt_? -100.75 129.27 46.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.268 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.638 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 40.4 tp -102.19 107.8 18.99 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.624 ' SG ' ' CZ ' ' A' ' 4' ' ' TYR . 25.6 p -112.63 146.64 38.27 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.541 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' SER . 39.6 m -123.36 136.61 54.74 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.147 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.671 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 8.9 ptm180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' ARG . 33.7 m -123.12 109.33 13.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.191 0.519 . . . . 0.0 110.838 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.2 m -85.12 135.61 33.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.681 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.731 ' HH ' HH11 ' A' ' 32' ' ' ARG . 54.3 p90 -163.96 156.21 17.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.54 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.6 m -92.85 146.75 23.4 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.683 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.649 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 8.2 ptm180 -141.6 157.78 44.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.907 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.561 ' OG1' ' O ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -85.08 66.76 9.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.524 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.436 ' C ' HH11 ' A' ' 28' ' ' ARG . . . 140.9 -169.49 24.9 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.649 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 60.0 mtm-85 -72.15 157.53 37.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.812 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.644 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 1.7 m -105.14 -166.5 1.23 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.447 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.439 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -83.83 163.61 20.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.725 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 84.1 m -61.63 -43.5 98.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.648 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 -57.6 -28.79 63.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.694 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.9 mt-10 -74.08 171.25 13.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.675 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.3 p -140.49 131.77 26.64 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -75.91 126.43 30.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.151 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.653 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 61.8 p -108.54 -21.22 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.13 -179.86 40.55 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -97.24 119.2 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 0.0 110.255 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.687 ' N ' ' O ' ' A' ' 27' ' ' TYR . 5.4 m -78.67 178.28 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.457 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -146.12 108.15 4.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.992 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.449 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 47.8 mt -130.69 135.1 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.755 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p 58.08 26.88 14.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.01 -6.97 60.93 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -98.12 142.82 29.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 110.616 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 pp -72.38 128.77 36.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.738 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.687 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.9 m-85 -114.75 161.65 17.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.232 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.462 HH11 ' N ' ' A' ' 9' ' ' ARG . 68.8 mtt180 -101.5 133.6 45.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.653 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 42.8 tp -101.98 108.57 20.06 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.727 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.694 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.6 p -112.06 148.21 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.2 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 15' ' ' SER . 54.6 m -125.13 133.46 52.83 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.311 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.731 HH11 ' HH ' ' A' ' 4' ' ' TYR . 8.3 ptm180 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.958 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.3 m -123.0 109.87 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.041 0.448 . . . . 0.0 110.574 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.7 m -85.75 135.46 33.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.758 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.576 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 50.1 p90 -163.28 153.86 16.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.463 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.7 m -90.71 141.48 28.75 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.74 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.791 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 1.9 ptp180 -137.8 152.63 49.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.696 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 7' ' ' THR . 0.1 OUTLIER -81.7 77.32 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 179.357 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.42 -173.07 20.95 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.688 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 21.3 mtm180 -70.98 156.42 39.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.395 . . . . 0.0 110.789 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.791 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.1 m -104.66 -167.52 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.626 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.417 ' CA ' ' HG3' ' A' ' 14' ' ' GLU . . . -80.7 160.02 25.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.545 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.7 m -60.4 -42.7 96.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -58.51 -31.03 67.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.369 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.685 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -70.56 166.85 19.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.68 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 31' ' ' CYS . 5.9 p -135.06 132.62 38.43 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.24 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -77.28 128.05 33.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.912 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.6 ' HG ' ' CD2' ' A' ' 29' ' ' LEU . 67.7 p -109.16 -22.02 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.15 -179.92 41.52 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.416 ' CG2' HD21 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.7 124.87 49.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.181 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.638 ' N ' ' O ' ' A' ' 27' ' ' TYR . 7.4 m -87.53 176.48 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.487 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -142.84 109.77 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.306 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.489 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 64.7 mt -132.05 135.11 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.663 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 p 58.45 26.56 14.35 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.762 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 -10.37 55.63 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 25' ' ' ARG . 42.4 ttm180 -96.59 147.58 23.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.855 0.359 . . . . 0.0 110.594 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.416 HD21 ' CG2' ' A' ' 19' ' ' VAL . 78.4 mt -75.16 132.23 41.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.638 ' O ' ' N ' ' A' ' 20' ' ' CYS . 5.9 m-85 -115.44 163.4 15.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.464 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 2.5 mpt_? -103.47 132.36 49.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.186 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.6 ' CD2' ' HG ' ' A' ' 17' ' ' SER . 38.5 tp -100.76 102.63 13.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.304 . . . . 0.0 110.768 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.685 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.4 p -107.55 144.13 35.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.54 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.518 ' N ' ' O ' ' A' ' 15' ' ' SER . 40.1 m -119.82 132.57 55.63 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.281 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.439 ' HD3' ' HH ' ' A' ' 4' ' ' TYR . 8.7 ptt180 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.566 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.3 m -123.17 110.99 15.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.558 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.8 m -86.06 135.65 33.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.935 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.561 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 48.7 p90 -163.86 150.77 11.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.6 m -90.66 147.14 23.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.673 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 8.4 ptm180 -141.12 158.0 44.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.744 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.644 ' O ' ' CG2' ' A' ' 7' ' ' THR . 7.1 t -84.28 70.56 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.591 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 136.97 -178.2 19.12 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.641 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 51.2 ttt85 -64.22 159.34 20.94 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.816 0.341 . . . . 0.0 110.526 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.673 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.9 m -108.75 -165.63 1.04 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.488 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.25 160.01 21.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.631 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.7 m -60.79 -42.37 97.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.471 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -57.72 -31.24 66.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.179 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -70.45 172.53 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' CYS . 5.1 p -138.3 131.38 30.02 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.404 ' HA ' ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -77.18 129.34 35.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.071 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.658 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 83.9 p -109.97 -28.93 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.799 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.74 -179.99 43.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' CG2' HD23 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.58 117.37 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.452 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 43.0 m -77.59 -163.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.15 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' H ' ' HB3' ' A' ' 20' ' ' CYS . 44.0 tt0 -163.34 107.84 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.098 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.586 ' O ' ' OG ' ' A' ' 23' ' ' SER . 7.1 mm -124.49 135.44 63.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.586 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER 57.22 25.16 10.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.55 -15.49 54.33 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' NH2' ' OG1' ' A' ' 7' ' ' THR . 60.8 ttp180 -88.36 153.46 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.637 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.407 HD23 ' CG2' ' A' ' 19' ' ' VAL . 76.2 mt -79.64 131.35 35.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.3 m-85 -117.95 153.69 33.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -96.44 135.35 38.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.277 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.658 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 42.0 tp -103.51 110.04 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.777 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 25.9 p -115.45 144.38 43.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.519 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' SER . 36.2 m -121.98 137.84 54.65 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.265 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.554 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 23.3 ptt180 . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.705 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 32' ' ' ARG . 25.6 m -122.84 107.56 12.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.515 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.7 m -87.85 135.67 33.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.696 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.557 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 55.0 p90 -160.37 153.84 22.21 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m -89.99 142.39 27.75 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.722 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.793 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -137.22 156.61 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.631 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.0 t -83.63 66.78 9.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.556 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.553 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 138.93 -170.73 23.91 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.632 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 20.4 ttp180 -71.89 156.97 38.68 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 120.847 0.356 . . . . 0.0 110.605 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.793 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.6 m -104.62 -165.46 1.14 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.584 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -83.18 162.97 21.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.659 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -60.56 -43.21 97.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -57.73 -29.16 64.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.329 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.674 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.1 mt-10 -73.98 165.4 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.516 ' O ' ' N ' ' A' ' 31' ' ' CYS . 5.0 p -132.98 132.79 42.33 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -77.76 131.09 37.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.901 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.641 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 87.1 p -111.8 -27.58 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.68 -179.84 44.8 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 p -96.72 117.44 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.361 . . . . 0.0 110.189 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 27' ' ' TYR . 6.5 m -78.45 175.05 10.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.623 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -140.55 107.73 5.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.019 179.743 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.497 ' O ' ' OG ' ' A' ' 23' ' ' SER . 71.1 mt -132.01 141.28 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.697 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.1 p 53.96 22.99 3.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.609 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.0 -17.19 43.07 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -91.96 145.02 24.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.0 110.583 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.4 pp -71.15 132.09 44.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.693 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.1 m-85 -114.48 161.7 17.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.588 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -101.37 131.78 47.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.272 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.641 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 47.0 tp -101.3 105.81 16.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.848 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.674 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.8 p -110.43 144.11 39.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.3 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.516 ' N ' ' O ' ' A' ' 15' ' ' SER . 31.2 m -119.3 136.63 54.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.521 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 2' ' ' THR . 24.6 ptt85 . . . . . 0 C--O 1.216 -0.665 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.875 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.586 ' N ' ' O ' ' A' ' 32' ' ' ARG . 53.5 m -122.12 107.73 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.483 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.6 m -85.21 136.33 33.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.775 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.64 ' CZ ' ' SG ' ' A' ' 30' ' ' CYS . 47.9 p90 -163.6 152.95 14.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.484 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.0 m -90.54 140.72 29.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.664 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.0 ptm180 -135.88 157.37 47.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 t -87.71 64.07 7.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.441 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.656 ' O ' ' NE ' ' A' ' 6' ' ' ARG . . . 144.77 -172.92 25.51 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.616 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 48.1 ttp180 -69.38 157.56 36.81 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.943 0.402 . . . . 0.0 110.582 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.664 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 8.7 m -107.89 -167.16 1.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.474 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.424 ' CB ' ' HG3' ' A' ' 14' ' ' GLU . . . -80.2 158.42 26.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.627 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -60.62 -42.05 96.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.376 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -58.6 -30.74 67.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.466 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.659 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.9 mt-10 -70.78 173.63 7.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.418 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.496 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 p -136.18 129.47 31.73 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.015 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.4 126.53 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.636 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 52.7 p -105.38 -28.34 10.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.93 -179.86 42.01 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 p -96.37 117.5 40.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.929 0.395 . . . . 0.0 110.1 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 10.7 m -73.81 -173.84 1.64 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.455 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -152.32 105.24 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.331 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.528 ' O ' ' OG ' ' A' ' 23' ' ' SER . 6.3 mm -122.24 132.84 70.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.711 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.528 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER 54.85 30.69 14.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.718 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.32 -14.35 40.52 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 78.7 ttt180 -87.59 155.93 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.693 0.282 . . . . 0.0 110.454 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 8.7 mp -86.81 130.37 34.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 20' ' ' CYS . 8.3 m-85 -116.97 156.38 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.552 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -96.0 132.51 41.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.113 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.636 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 30.8 tp -105.01 113.53 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 16.3 p -120.72 144.07 48.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.466 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.473 ' N ' ' O ' ' A' ' 15' ' ' SER . 53.3 m -118.97 137.81 53.24 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.304 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.586 ' O ' ' N ' ' A' ' 2' ' ' THR . 28.6 ptt180 . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.669 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.7 m -120.8 111.31 17.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -86.16 135.62 33.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.745 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.581 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 48.0 p90 -162.13 154.2 19.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.5 m -91.13 142.44 27.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.35 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.673 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.6 ptm180 -137.72 157.3 46.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.633 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.636 ' O ' ' CG2' ' A' ' 7' ' ' THR . 7.1 t -87.4 66.44 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.628 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.459 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 143.51 -170.0 25.74 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.581 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 50.0 ttp180 -72.31 155.66 39.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.898 0.38 . . . . 0.0 110.583 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.673 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 8.8 m -105.3 -166.45 1.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.535 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.425 ' CB ' ' HG3' ' A' ' 14' ' ' GLU . . . -81.67 159.43 23.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.544 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -61.28 -42.58 98.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.512 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -58.59 -29.42 66.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.402 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.669 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.8 mt-10 -72.64 169.87 15.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.503 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 6.0 p -134.98 132.88 38.88 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.19 125.92 30.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.82 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.651 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 77.3 p -105.35 -21.34 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.77 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.95 -179.83 39.92 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 6.1 p -96.41 117.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.003 0.43 . . . . 0.0 110.173 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.7 ' N ' ' O ' ' A' ' 27' ' ' TYR . 5.2 m -76.85 177.31 7.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.458 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -143.48 107.5 4.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.2 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.456 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 75.4 mt -132.08 132.55 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 25' ' ' ARG . 4.9 p 56.8 41.87 27.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.761 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.11 -5.19 2.86 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.496 ' H ' ' C ' ' A' ' 23' ' ' SER . 67.8 ttt180 -101.84 139.73 37.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.79 135.96 48.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.699 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.7 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.2 m-85 -119.84 162.68 18.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -102.13 131.39 48.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.228 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.651 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 39.7 tp -101.66 104.17 14.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.731 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.669 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 19.7 p -110.52 142.92 41.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' SER . 39.5 m -118.62 135.88 54.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.371 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.3 ptt85 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.713 -179.509 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.522 ' N ' ' O ' ' A' ' 32' ' ' ARG . 54.3 m -122.45 108.35 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.9 m -86.82 135.7 33.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.524 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.581 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 43.8 p90 -162.54 152.85 16.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.563 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.08 142.04 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.644 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.798 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -136.73 152.67 50.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.596 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 t -83.95 60.34 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.551 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.494 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 151.69 -166.62 30.84 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.681 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 47.8 mtt85 -75.53 158.74 32.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.963 0.411 . . . . 0.0 110.879 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.798 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.0 m -109.12 -169.93 1.57 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.689 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.416 ' CB ' ' HG3' ' A' ' 14' ' ' GLU . . . -80.4 160.77 25.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.425 . . . . 0.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.7 m -61.43 -41.92 97.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -58.95 -30.41 67.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.403 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.684 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.5 mt-10 -71.15 169.47 15.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.581 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.556 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.0 p -138.22 134.23 34.2 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.4 126.96 31.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.767 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.62 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 80.8 p -106.47 -19.97 13.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.22 -179.68 40.15 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.408 ' CG2' HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -96.33 117.63 41.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 110.213 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.672 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.2 m -78.7 174.58 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.535 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.1 mp0 -141.77 108.02 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.039 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.481 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 68.4 mt -130.39 135.98 59.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 p 57.54 25.78 11.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.847 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.52 1.28 86.22 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.4 ttm-85 -106.67 146.55 30.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.762 0.315 . . . . 0.0 110.525 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.408 HD22 ' CG2' ' A' ' 19' ' ' VAL . 97.3 mt -70.71 132.0 44.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.807 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.672 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.4 m-85 -119.83 160.54 22.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.489 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -102.34 131.65 48.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.375 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.62 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 39.7 tp -102.63 101.7 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 25.6 p -105.48 144.52 32.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.421 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.556 ' N ' ' O ' ' A' ' 15' ' ' SER . 36.9 m -120.91 132.67 55.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.276 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 2' ' ' THR . 22.6 ptt85 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.583 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' ARG . 52.4 m -121.98 109.14 14.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.599 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -87.3 135.99 33.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.57 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.585 ' CZ ' ' SG ' ' A' ' 30' ' ' CYS . 50.1 p90 -161.92 153.49 18.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.353 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.3 m -90.31 146.56 24.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 1.5 ptp180 -141.41 156.46 45.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.562 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 25.6 m -83.27 59.54 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 148.77 -164.7 29.16 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.697 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 29.6 mtm180 -79.0 157.99 28.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.8 m -104.51 -166.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.44 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -82.83 162.78 21.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.599 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -60.59 -43.23 97.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.468 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -57.75 -30.61 65.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.339 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -71.33 164.56 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.71 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.564 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.2 p -130.69 133.03 45.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.01 126.0 30.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.735 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.646 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 54.0 p -106.33 -23.21 12.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.699 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.05 -179.96 42.01 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.432 ' CG2' HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.37 117.52 40.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.878 0.37 . . . . 0.0 110.314 -179.745 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.685 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.9 m -78.67 177.64 8.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.579 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -148.64 112.42 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.25 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.558 ' O ' ' OG ' ' A' ' 23' ' ' SER . 5.5 mm -128.57 133.44 66.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.558 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 2.9 p 54.89 29.76 12.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.444 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.74 -16.87 23.93 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 59.1 ttt-85 -83.0 154.55 24.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.81 0.338 . . . . 0.0 110.5 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 3.8 mm? -81.11 131.11 35.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.685 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.7 m-85 -120.34 155.24 33.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.608 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 8.2 mpt_? -100.45 134.9 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.46 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.646 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 40.9 tp -104.08 105.2 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.6 p -110.7 146.89 35.47 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.372 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' A' ' 15' ' ' SER . 35.4 m -122.94 141.23 52.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.562 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.574 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 27.5 ptt180 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.736 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' ARG . 58.8 m -123.28 111.12 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.674 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 72.1 m -87.45 135.67 33.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.692 179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.78 ' HH ' ' NH1' ' A' ' 32' ' ' ARG . 53.5 p90 -161.35 154.65 21.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.512 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.3 m -91.0 141.66 28.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.464 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.797 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -139.67 155.11 47.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.627 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.401 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 6.7 m -80.03 72.9 6.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.471 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.422 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 132.24 -174.38 20.33 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -70.27 160.47 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.767 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.797 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.6 m -105.42 -163.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.656 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.455 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -85.39 164.99 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -61.0 -42.71 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -57.72 -29.07 64.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.118 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.676 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.8 mt-10 -75.48 170.37 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.525 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.5 p -137.49 132.55 33.46 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.902 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -78.48 124.96 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.73 0.644 . . . . 0.0 110.868 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.646 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 54.8 p -106.23 -22.63 12.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.15 -179.79 40.6 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -96.49 117.13 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.954 0.407 . . . . 0.0 110.156 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.699 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.7 m -74.87 175.5 7.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -141.5 107.08 5.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.966 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.472 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 70.1 mt -129.97 136.48 58.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.48 ' C ' ' H ' ' A' ' 25' ' ' ARG . 1.2 p 51.29 38.18 20.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.731 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.56 -14.17 3.48 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.48 ' H ' ' C ' ' A' ' 23' ' ' SER . 57.4 ttp180 -93.13 139.46 30.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.951 0.405 . . . . 0.0 110.654 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.0 mp -71.35 137.16 48.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.801 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.699 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.5 m-85 -120.58 161.27 21.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.572 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.499 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 6.7 mpt_? -99.3 129.43 45.52 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.646 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 44.5 tp -100.18 107.48 19.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.098 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.676 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.3 p -112.64 146.87 37.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.401 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' SER . 44.0 m -122.67 138.52 54.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.484 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.78 ' NH1' ' HH ' ' A' ' 4' ' ' TYR . 28.0 ptt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.822 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 32' ' ' ARG . 94.2 m -120.28 109.79 15.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.462 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.2 m -86.35 135.62 33.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.588 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 53.0 p90 -165.05 153.15 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.1 m -90.79 145.75 24.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.79 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 4.3 ptp180 -143.54 154.85 44.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.465 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.474 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 6.6 m -80.84 75.33 7.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.464 179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.424 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 131.94 176.75 14.54 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.437 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 56.5 ttp180 -62.62 157.87 19.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.732 0.301 . . . . 0.0 110.386 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.79 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 11.8 m -104.47 -166.06 1.2 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -82.51 163.35 21.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.687 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.4 m -60.37 -42.8 96.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 mmt-85 -58.23 -29.7 65.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.367 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.671 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -74.88 163.26 27.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.531 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.578 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.2 p -131.63 134.44 45.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.756 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD13 ' N ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -77.52 123.84 27.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.598 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 38.9 p -103.89 -28.46 11.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.752 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.6 -179.75 46.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 p -96.58 117.98 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.399 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.709 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.3 m -81.02 -175.67 5.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.447 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -153.09 113.91 4.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.464 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.458 ' O ' ' OG ' ' A' ' 23' ' ' SER . 7.0 mm -131.34 139.9 49.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.617 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.5 p 52.3 23.1 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.66 -24.27 18.33 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -80.89 141.33 34.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.312 . . . . 0.0 110.722 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.608 ' CD1' ' C ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -67.93 134.06 50.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.026 0.441 . . . . 0.0 110.673 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.709 ' O ' ' N ' ' A' ' 20' ' ' CYS . 5.1 m-85 -118.06 159.39 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.737 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -102.9 132.03 49.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.204 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.598 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 42.4 tp -101.14 108.44 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.671 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 24.6 p -111.45 146.81 36.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.441 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.578 ' N ' ' O ' ' A' ' 15' ' ' SER . 36.9 m -122.95 134.14 54.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.345 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 2' ' ' THR . 6.0 ptm180 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.686 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' ARG . 45.2 m -118.43 108.53 15.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.396 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.9 m -87.44 135.91 33.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.834 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.665 ' OH ' ' NH1' ' A' ' 32' ' ' ARG . 55.6 p90 -164.85 154.76 13.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.451 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.2 m -90.86 143.08 27.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.371 179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.688 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.2 ptm180 -137.12 157.92 45.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.614 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 28.8 m -85.55 73.08 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.403 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.18 -172.84 21.31 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.558 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 19.9 tpt85 -69.19 155.93 39.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.825 0.345 . . . . 0.0 110.343 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.688 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 6.8 m -104.56 -167.26 1.33 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.376 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -80.38 160.78 25.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -61.35 -42.77 99.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.745 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -58.38 -29.51 66.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.373 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.7 mt-10 -72.95 167.8 20.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.1 p -132.68 130.7 40.45 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.993 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.92 111.93 14.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.834 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.639 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 36.7 p -91.34 -22.45 20.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.935 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.35 -179.67 41.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 19' ' ' VAL . 8.3 p -96.44 126.13 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.261 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.671 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.3 m -91.16 168.95 11.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.448 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -142.37 112.3 6.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.99 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.502 ' O ' ' OG ' ' A' ' 23' ' ' SER . 54.8 mt -128.51 135.7 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.682 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER 54.01 36.52 24.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.952 0.406 . . . . 0.0 110.663 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.65 -11.48 7.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.447 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 55.8 ttt85 -87.02 158.19 19.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.836 0.351 . . . . 0.0 110.569 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.447 ' N ' ' HG2' ' A' ' 25' ' ' ARG . 15.9 tp -88.2 125.58 34.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.47 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.671 ' O ' ' N ' ' A' ' 20' ' ' CYS . 7.9 m-85 -116.38 159.54 21.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.546 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.516 ' NH1' ' CD ' ' A' ' 9' ' ' ARG . 99.5 mtt180 -107.45 135.74 48.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.492 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.639 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 46.4 tp -101.35 108.03 19.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.59 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 20.6 p -112.96 146.15 39.52 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.284 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.486 ' N ' ' O ' ' A' ' 15' ' ' SER . 48.0 m -123.19 139.2 54.3 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.362 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.665 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 27.3 ptt180 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.989 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.5 m -123.07 112.1 17.35 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.542 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -86.43 135.66 33.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.762 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.406 ' N ' HD11 ' A' ' 29' ' ' LEU . 53.1 p90 -161.46 155.25 21.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.627 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.6 m -90.75 142.52 27.67 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.358 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.707 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 4.8 ptm180 -136.16 157.97 45.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.766 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.409 ' O ' ' CG2' ' A' ' 7' ' ' THR . 8.3 t -85.83 74.43 10.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.661 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.447 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 132.02 -163.11 23.92 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.578 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -76.67 158.36 31.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.29 0.567 . . . . 0.0 110.592 179.493 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.707 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 15.4 m -106.1 -163.13 0.91 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.42 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.92 159.96 18.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.7 m -60.92 -42.59 98.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -57.89 -30.13 65.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.389 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.678 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.9 mt-10 -72.05 174.8 6.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.627 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.5 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.5 p -137.68 128.63 27.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.79 126.71 31.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.663 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.641 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 68.4 p -107.36 -21.31 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.04 -179.73 40.02 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.526 ' CG1' ' O ' ' A' ' 19' ' ' VAL . 7.8 p -96.47 117.68 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.04 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.688 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.4 m -75.69 173.48 11.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.58 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -139.24 106.56 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.14 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.497 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 69.7 mt -129.23 135.34 62.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.488 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.3 p 53.48 37.23 25.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.781 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.6 -1.61 27.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -103.7 148.39 26.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.475 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 2.7 mm? -76.85 134.31 39.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.799 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.688 ' O ' ' N ' ' A' ' 20' ' ' CYS . 7.2 m-85 -120.95 161.89 20.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.573 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.403 ' NH1' HG23 ' A' ' 19' ' ' VAL . 26.4 mmt180 -101.66 131.67 47.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.116 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.641 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 42.1 tp -102.86 103.69 13.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.754 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.678 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 15.4 p -111.0 143.61 41.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.474 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' SER . 34.9 m -118.06 139.29 51.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.328 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 32' ' ' ARG . 10.6 ptt180 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.883 -1.056 . . . . 0.0 110.631 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 32' ' ' ARG . 99.5 m -122.18 110.49 15.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.557 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.3 m -85.83 135.54 33.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.705 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.558 ' OH ' ' NH1' ' A' ' 32' ' ' ARG . 44.2 p90 -164.85 153.69 12.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.618 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m -90.04 142.17 27.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.592 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.6 OUTLIER -136.59 155.85 49.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.685 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.614 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 29.1 m -81.33 71.55 8.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.573 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.09 -176.99 19.26 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -66.34 156.9 33.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.796 0.331 . . . . 0.0 110.431 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 6.4 m -104.51 -169.41 1.62 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.428 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -79.6 161.58 25.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.7 m -59.65 -42.53 93.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.421 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 13' ' ' ARG . 80.3 mmt-85 -58.16 -30.57 66.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.289 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.647 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.1 mt-10 -71.96 162.9 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.724 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.571 ' O ' ' N ' ' A' ' 31' ' ' CYS . 3.9 p -130.01 133.14 46.56 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -79.85 126.15 30.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.034 -179.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.628 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 45.3 p -106.44 -21.7 13.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.62 -179.65 41.96 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 12.2 p -96.51 126.24 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.228 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.674 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.8 m -92.38 172.12 8.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.719 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -145.49 111.99 5.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.054 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.456 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 59.0 mt -132.56 140.9 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.774 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 p 58.49 24.42 11.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.551 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.68 1.7 87.16 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 57.2 ttp180 -105.39 158.81 16.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.791 0.329 . . . . 0.0 110.756 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.452 ' C ' ' CD2' ' A' ' 26' ' ' LEU . 8.3 tt -79.05 130.48 35.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.674 ' O ' ' N ' ' A' ' 20' ' ' CYS . 7.8 m-85 -121.61 156.9 31.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.589 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -105.2 135.02 47.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.195 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.628 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 42.8 tp -102.04 103.54 14.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.647 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.9 p -109.24 145.84 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.461 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.571 ' N ' ' O ' ' A' ' 15' ' ' SER . 37.2 m -120.67 139.3 53.21 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.255 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.558 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 29.9 ptt180 . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.647 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.8 m -116.71 110.72 18.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.932 0.396 . . . . 0.0 110.533 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.5 m -86.68 135.79 33.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.699 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.59 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 54.4 p90 -162.56 157.17 21.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.489 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.2 m -92.58 141.95 27.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.5 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.657 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 6.7 ptm180 -137.15 157.22 47.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.746 ' HG1' ' HH ' ' A' ' 27' ' ' TYR . 86.2 m -83.26 64.95 8.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.598 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 140.71 -170.04 24.64 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.657 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 44.2 mtt180 -74.27 158.67 33.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.632 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.4 m -104.65 -164.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.638 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.411 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -86.57 163.77 17.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.595 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -59.49 -42.19 91.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -57.27 -30.35 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.391 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.684 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -74.66 167.6 21.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.507 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.569 ' O ' ' N ' ' A' ' 31' ' ' CYS . 2.5 p -134.33 130.98 37.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.15 127.95 33.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.74 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.66 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 67.7 p -108.58 -23.92 11.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.763 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.8 -179.95 42.44 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG23 ' NH1' ' A' ' 28' ' ' ARG . 12.3 p -96.24 117.29 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.971 0.415 . . . . 0.0 110.246 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.8 m -77.2 173.75 11.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.658 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -141.96 108.47 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.115 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.504 ' O ' ' OG ' ' A' ' 23' ' ' SER . 75.5 mt -128.7 135.29 62.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.811 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER 54.92 26.41 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.654 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.42 -12.15 52.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -91.37 147.17 23.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.484 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.0 mt -74.55 133.99 42.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.746 ' HH ' ' HG1' ' A' ' 7' ' ' THR . 6.4 m-85 -121.2 159.73 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.701 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' NH1' HG23 ' A' ' 19' ' ' VAL . 81.6 mmt-85 -100.91 131.81 46.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.245 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.66 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 48.2 tp -101.83 101.66 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.68 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.6 p -108.13 145.72 33.71 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.407 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' A' ' 15' ' ' SER . 35.6 m -120.78 133.32 55.33 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.301 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.581 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 23.9 ptt180 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.721 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.7 m -120.84 111.21 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.717 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -88.08 135.69 33.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.592 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.584 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 48.4 p90 -160.13 151.01 18.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.518 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.3 m -90.46 142.82 27.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.553 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.823 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 3.3 ptp180 -138.81 152.35 47.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.453 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.425 ' CB ' HH22 ' A' ' 25' ' ' ARG . 2.8 t -79.28 63.47 3.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.708 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.21 -171.51 27.86 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -73.65 159.06 33.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.747 0.308 . . . . 0.0 110.73 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.823 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 3.9 m -106.11 -167.75 1.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.556 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.459 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -81.53 162.13 23.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.656 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -60.23 -43.4 96.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.52 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -58.1 -29.32 65.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.458 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.678 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -72.13 166.9 21.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.526 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.3 p -134.01 134.1 42.06 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -79.5 125.59 29.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.588 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.635 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 62.1 p -104.52 -24.57 13.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.709 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.55 -179.6 41.41 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.407 ' O ' ' CG1' ' A' ' 19' ' ' VAL . 12.3 p -96.61 120.46 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.152 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 4.9 m -81.35 178.13 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.697 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -142.27 106.02 4.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.317 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.473 ' HB ' ' CE1' ' A' ' 27' ' ' TYR . 68.8 mt -129.73 138.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.791 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 p 58.32 25.31 12.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.698 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.17 5.57 89.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.807 ' NH2' ' CZ ' ' A' ' 27' ' ' TYR . 69.4 ttp85 -113.03 153.12 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.472 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.8 mt -75.78 132.02 40.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.807 ' CZ ' ' NH2' ' A' ' 25' ' ' ARG . 5.7 m-85 -117.93 161.16 20.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.64 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -100.41 129.58 46.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.177 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.635 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 41.5 tp -101.69 105.26 16.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.678 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 28.0 p -109.41 145.35 36.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.523 ' N ' ' O ' ' A' ' 15' ' ' SER . 33.1 m -120.85 140.3 51.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.535 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 32' ' ' ARG . 18.3 ptt85 . . . . . 0 C--O 1.218 -0.572 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.64 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.5 m -122.19 107.02 11.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.551 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.4 m -86.73 135.54 33.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.801 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.571 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 53.7 p90 -163.49 153.67 15.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.457 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m -90.06 141.82 28.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.528 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.786 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -137.69 157.62 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.696 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.38 73.29 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.437 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.481 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 134.23 -170.87 22.41 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.613 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 56.0 ttp180 -70.42 156.21 39.66 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.825 0.345 . . . . 0.0 110.47 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.786 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.0 m -104.72 -168.35 1.47 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.441 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.41 ' CA ' ' HG3' ' A' ' 14' ' ' GLU . . . -79.59 160.85 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.1 m -60.52 -43.51 97.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.65 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -58.12 -29.96 65.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.424 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.686 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.5 mt-10 -71.66 166.28 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.675 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.4 p -135.63 133.33 38.1 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.91 125.71 29.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.68 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.648 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 59.0 p -106.59 -26.8 11.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.775 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.18 -179.74 45.33 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.4 p -96.52 121.57 47.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.891 0.377 . . . . 0.0 110.245 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.649 ' N ' ' O ' ' A' ' 27' ' ' TYR . 7.5 m -83.32 -178.65 7.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.68 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -150.54 106.76 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.206 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.7 mt -130.2 134.3 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.396 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 p 61.04 27.09 16.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.71 -0.53 81.58 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -105.87 141.31 37.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 110.747 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.498 ' O ' ' CD1' ' A' ' 26' ' ' LEU . 2.3 pp -70.19 126.77 30.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.621 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.649 ' O ' ' N ' ' A' ' 20' ' ' CYS . 4.8 m-85 -111.2 164.66 12.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.538 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -103.15 132.71 49.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.111 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.648 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 43.7 tp -101.84 104.54 15.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.76 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.686 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 24.2 p -109.02 146.16 34.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.408 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' A' ' 15' ' ' SER . 42.3 m -123.18 131.52 53.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.395 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.692 -179.86 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.555 ' N ' ' O ' ' A' ' 32' ' ' ARG . 52.0 m -121.93 111.66 17.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.57 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -85.62 135.74 33.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.655 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.558 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 42.9 p90 -165.61 149.99 8.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.457 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.2 m -91.49 139.52 30.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.685 ' NH1' ' O ' ' A' ' 9' ' ' ARG . 6.9 ptm180 -138.98 152.31 47.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.35 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -76.7 82.22 3.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.808 179.642 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.675 ' C ' ' NH1' ' A' ' 6' ' ' ARG . . . 131.91 -167.37 22.82 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.685 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 76.1 ttt180 -80.67 158.84 25.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 110.65 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.524 ' SG ' ' HD2' ' A' ' 6' ' ' ARG . 1.8 m -104.53 -164.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.546 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.47 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -84.71 161.6 19.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -59.77 -42.18 92.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.359 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -57.59 -31.36 66.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.311 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.704 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.8 mt-10 -71.03 170.23 13.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.53 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.498 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 4.4 p -136.58 134.23 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.764 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.81 122.46 26.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.815 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.651 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 58.5 p -102.49 -23.4 13.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.782 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.45 179.88 40.55 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.406 ' CG2' HD12 ' A' ' 26' ' ' LEU . 1.4 p -96.41 118.41 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 0.0 110.373 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.691 ' N ' ' O ' ' A' ' 27' ' ' TYR . 6.9 m -79.85 -169.74 2.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.454 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -163.3 113.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.351 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.578 ' O ' ' OG ' ' A' ' 23' ' ' SER . 5.4 mm -127.7 134.83 64.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.578 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.6 p 55.88 22.94 6.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.481 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.14 -21.53 33.95 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -79.4 151.18 31.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.869 0.366 . . . . 0.0 110.575 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 3.3 mm? -76.07 139.81 41.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.691 ' O ' ' N ' ' A' ' 20' ' ' CYS . 11.3 m-85 -130.99 152.61 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.579 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -100.52 134.23 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.478 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.651 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 37.7 tp -102.29 111.8 24.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.762 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.704 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 30.9 p -116.55 144.06 44.83 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.503 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' SER . 40.0 m -121.38 131.57 54.26 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.465 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 2' ' ' THR . 15.0 ptt180 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.611 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.6 m -120.88 109.66 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.555 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.7 m -87.42 135.89 33.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.572 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 53.4 p90 -162.08 152.38 17.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.511 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.8 m -92.69 144.04 25.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.396 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.677 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 7.6 ptm180 -136.78 157.53 46.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.631 ' O ' ' CG2' ' A' ' 7' ' ' THR . 6.7 t -86.17 63.59 8.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.694 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.489 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 145.88 -172.9 26.41 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.648 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 66.0 ttp85 -69.04 154.66 41.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.833 0.349 . . . . 0.0 110.523 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.677 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.9 m -104.67 -167.08 1.31 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.575 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.44 ' CB ' ' HG3' ' A' ' 14' ' ' GLU . . . -81.69 156.81 24.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.664 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -59.96 -43.0 95.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.685 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 13' ' ' ARG . 37.3 mmt180 -57.9 -30.72 66.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.332 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.659 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 3.0 mt-10 -69.32 172.6 6.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.43 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.505 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.8 p -132.55 128.83 38.1 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.779 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.433 HD11 ' N ' ' A' ' 17' ' ' SER . 0.2 OUTLIER -80.47 125.02 29.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.733 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.627 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 59.7 p -102.7 -45.58 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.47 -179.87 42.8 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.438 ' CG2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.75 116.34 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 110.476 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 27' ' ' TYR . 56.1 m -75.84 -167.43 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.265 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' O ' HD11 ' A' ' 22' ' ' ILE . 80.2 tt0 -157.95 106.95 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.342 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.573 ' O ' ' OG ' ' A' ' 23' ' ' SER . 7.2 mm -124.37 131.62 72.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.797 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.573 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 4.1 p 55.11 32.76 18.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.694 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.12 -12.47 24.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.457 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 7.7 tpp85 -90.42 142.14 28.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.801 0.334 . . . . 0.0 110.411 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.457 ' N ' ' HG3' ' A' ' 25' ' ' ARG . 79.7 mt -71.31 133.37 45.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.946 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.673 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.4 m-85 -120.78 149.89 41.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.628 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -94.93 135.52 36.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.341 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.627 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 44.9 tp -104.07 110.79 23.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 22.9 p -117.56 141.85 47.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.586 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' SER . 35.3 m -118.9 139.85 50.96 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.271 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.658 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 7.7 ptm180 . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.703 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 32' ' ' ARG . 86.9 m -118.54 110.28 17.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.188 0.518 . . . . 0.0 110.51 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.8 m -86.84 135.59 33.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.817 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.482 ' OH ' ' OE1' ' A' ' 14' ' ' GLU . 43.9 p90 -165.25 154.59 12.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.802 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.85 147.42 23.18 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.577 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -138.55 156.47 47.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.759 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.633 ' O ' ' CG2' ' A' ' 7' ' ' THR . 10.2 t -82.67 71.17 9.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.608 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.584 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.57 -178.37 18.32 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.411 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 59.6 ttp180 -63.04 156.7 24.01 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.476 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.5 m -104.5 -170.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.374 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.444 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -83.01 163.79 20.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.695 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 m -61.14 -42.82 99.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.606 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -58.31 -29.31 65.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.303 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.704 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -73.02 165.56 24.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.365 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.478 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 3.3 p -130.43 126.06 36.03 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.187 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.441 HD12 ' N ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -75.41 129.84 37.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.01 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.597 ' HG ' ' CD2' ' A' ' 29' ' ' LEU . 77.1 p -113.14 -21.4 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.43 -179.85 40.17 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 3.8 p -96.92 115.25 35.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.94 0.4 . . . . 0.0 110.205 179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.687 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.3 m -73.82 175.52 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.511 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -142.31 108.04 5.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.195 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.57 ' O ' ' OG ' ' A' ' 23' ' ' SER . 57.1 mt -127.25 133.49 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.57 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.4 p 55.74 24.53 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.931 0.396 . . . . 0.0 110.799 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.07 -19.54 41.86 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -86.99 142.63 27.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.841 0.353 . . . . 0.0 110.805 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 26' ' ' LEU . 11.2 mp -75.93 132.03 40.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.439 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.687 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.4 m-85 -115.05 163.78 15.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.464 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -98.21 128.84 44.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.597 ' CD2' ' HG ' ' A' ' 17' ' ' SER . 39.6 tp -99.26 102.91 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.443 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.704 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.8 p -113.27 146.86 38.66 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.211 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.441 ' O ' ' N ' ' A' ' 15' ' ' SER . 44.8 m -122.02 143.5 49.46 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.192 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.604 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 11.2 ptm180 . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.808 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 48.2 m -115.52 109.49 17.89 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.0 m -87.84 137.07 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.79 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.624 ' CZ ' ' SG ' ' A' ' 30' ' ' CYS . 54.4 p90 -164.14 153.1 13.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m -89.91 143.72 26.54 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.661 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.645 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.5 ptm180 -139.58 154.74 47.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.47 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.587 ' OG1' ' O ' ' A' ' 7' ' ' THR . 0.2 OUTLIER -82.4 65.31 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.003 0.43 . . . . 0.0 110.554 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.552 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 142.43 -170.36 25.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.627 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 47.5 mtt-85 -73.67 157.38 36.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.965 0.412 . . . . 0.0 110.805 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.645 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 6.4 m -104.83 -164.13 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.756 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 14' ' ' GLU . . . -83.94 162.44 20.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.73 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.3 m -60.56 -42.98 97.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -58.18 -30.02 66.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.671 ' OE2' ' NH1' ' A' ' 32' ' ' ARG . 2.0 mt-10 -72.46 169.91 15.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.608 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 31' ' ' CYS . 3.2 p -136.03 131.42 34.94 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.74 125.33 29.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.924 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.638 ' OG ' ' CD2' ' A' ' 29' ' ' LEU . 58.5 p -104.98 -23.05 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.017 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.63 -179.82 40.82 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.583 ' CG1' ' O ' ' A' ' 19' ' ' VAL . 3.4 p -96.36 116.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.686 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.3 m -73.87 174.52 8.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.566 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.0 mp0 -143.63 105.48 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.914 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.3 mt -127.38 135.72 62.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 p 59.43 23.41 11.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.699 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.9 4.62 90.24 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -108.65 152.92 24.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 110.694 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 2.5 mm? -78.25 131.79 37.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.697 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.686 ' O ' ' N ' ' A' ' 20' ' ' CYS . 9.1 m-85 -121.45 160.44 24.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.618 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.462 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 7.0 mpt_? -100.75 129.27 46.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.268 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.638 ' CD2' ' OG ' ' A' ' 17' ' ' SER . 40.4 tp -102.19 107.8 18.99 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.624 ' SG ' ' CZ ' ' A' ' 4' ' ' TYR . 25.6 p -112.63 146.64 38.27 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.541 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' SER . 39.6 m -123.36 136.61 54.74 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.147 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.671 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 8.9 ptm180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' ARG . 33.7 m -123.12 109.33 13.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.191 0.519 . . . . 0.0 110.838 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.2 m -85.12 135.61 33.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.681 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.658 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.3 p90 -163.96 156.21 17.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.54 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.59 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.6 m -92.85 146.75 23.4 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.683 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.649 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 8.2 ptm180 -141.6 157.78 44.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.907 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.561 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -85.08 66.76 9.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.524 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.454 ' C ' HH11 ' A' ' 28' ' ' ARG . . . 140.9 -169.49 24.9 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.649 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 60.0 mtm-85 -72.15 157.53 37.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.812 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.644 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 1.7 m -105.14 -166.5 1.23 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.447 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.83 163.61 20.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.725 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 84.1 m -61.63 -43.5 98.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.648 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 -57.6 -28.79 63.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.694 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.9 mt-10 -74.08 171.25 13.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.675 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.3 p -140.49 131.77 26.64 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -75.91 126.43 30.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.151 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.761 ' OG ' HD23 ' A' ' 29' ' ' LEU . 61.8 p -108.54 -21.22 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.13 -179.86 40.55 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -97.24 119.2 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 0.0 110.255 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.687 ' N ' ' O ' ' A' ' 27' ' ' TYR . 5.4 m -78.67 178.28 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.457 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -146.12 108.15 4.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.992 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.819 HD12 ' CD2' ' A' ' 27' ' ' TYR . 47.8 mt -130.69 135.1 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.755 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p 58.08 26.88 14.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.01 -6.97 60.93 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -98.12 142.82 29.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 110.616 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.5 pp -72.38 128.77 36.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.738 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.819 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.9 m-85 -114.75 161.65 17.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.232 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.474 HH11 ' N ' ' A' ' 9' ' ' ARG . 68.8 mtt180 -101.5 133.6 45.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.761 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.8 tp -101.98 108.57 20.06 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.727 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.694 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.6 p -112.06 148.21 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.2 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 15' ' ' SER . 54.6 m -125.13 133.46 52.83 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.311 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.637 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 8.3 ptm180 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.958 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.3 m -123.0 109.87 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.041 0.448 . . . . 0.0 110.574 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.7 m -85.75 135.46 33.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.758 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.594 ' O ' HD12 ' A' ' 29' ' ' LEU . 50.1 p90 -163.28 153.86 16.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.463 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.558 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.7 m -90.71 141.48 28.75 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.74 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.791 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 1.9 ptp180 -137.8 152.63 49.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.696 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.459 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.1 OUTLIER -81.7 77.32 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 179.357 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.42 -173.07 20.95 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.688 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 21.3 mtm180 -70.98 156.42 39.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.395 . . . . 0.0 110.789 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.791 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.1 m -104.66 -167.52 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.626 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.611 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.7 160.02 25.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.545 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.7 m -60.4 -42.7 96.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -58.51 -31.03 67.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.369 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.685 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -70.56 166.85 19.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.68 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' CYS . 5.9 p -135.06 132.62 38.43 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.24 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -77.28 128.05 33.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.912 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.688 ' OG ' HD23 ' A' ' 29' ' ' LEU . 67.7 p -109.16 -22.02 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.15 -179.92 41.52 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.626 ' CG2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.7 124.87 49.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.181 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.638 ' N ' ' O ' ' A' ' 27' ' ' TYR . 7.4 m -87.53 176.48 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.487 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -142.84 109.77 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.306 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.922 HD12 ' CD2' ' A' ' 27' ' ' TYR . 64.7 mt -132.05 135.11 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.663 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 p 58.45 26.56 14.35 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.762 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 -10.37 55.63 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 25' ' ' ARG . 42.4 ttm180 -96.59 147.58 23.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.855 0.359 . . . . 0.0 110.594 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.626 HD22 ' CG2' ' A' ' 19' ' ' VAL . 78.4 mt -75.16 132.23 41.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.922 ' CD2' HD12 ' A' ' 22' ' ' ILE . 5.9 m-85 -115.44 163.4 15.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.464 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 2.5 mpt_? -103.47 132.36 49.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.186 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.688 HD23 ' OG ' ' A' ' 17' ' ' SER . 38.5 tp -100.76 102.63 13.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.304 . . . . 0.0 110.768 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.685 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.4 p -107.55 144.13 35.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.54 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 15' ' ' SER . 40.1 m -119.82 132.57 55.63 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.281 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 8.7 ptt180 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.566 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.3 m -123.17 110.99 15.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.558 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.8 m -86.06 135.65 33.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.935 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.604 ' O ' HD12 ' A' ' 29' ' ' LEU . 48.7 p90 -163.86 150.77 11.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.6 m -90.66 147.14 23.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.673 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 8.4 ptm180 -141.12 158.0 44.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.744 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.906 HG23 ' O ' ' A' ' 7' ' ' THR . 7.1 t -84.28 70.56 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.591 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 136.97 -178.2 19.12 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.641 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 51.2 ttt85 -64.22 159.34 20.94 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.816 0.341 . . . . 0.0 110.526 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.673 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.9 m -108.75 -165.63 1.04 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.488 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.25 160.01 21.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.631 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.7 m -60.79 -42.37 97.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.471 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -57.72 -31.24 66.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.179 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -70.45 172.53 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' CYS . 5.1 p -138.3 131.38 30.02 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -77.18 129.34 35.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.071 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.814 ' OG ' HD23 ' A' ' 29' ' ' LEU . 83.9 p -109.97 -28.93 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.799 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.74 -179.99 43.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.608 ' CG2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.58 117.37 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.452 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 43.0 m -77.59 -163.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.15 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' ' 22' ' ' ILE . 44.0 tt0 -163.34 107.84 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.098 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.575 ' O ' ' OG ' ' A' ' 23' ' ' SER . 7.1 mm -124.49 135.44 63.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.575 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER 57.22 25.16 10.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.55 -15.49 54.33 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' NH2' ' OG1' ' A' ' 7' ' ' THR . 60.8 ttp180 -88.36 153.46 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.637 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.608 HD22 ' CG2' ' A' ' 19' ' ' VAL . 76.2 mt -79.64 131.35 35.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.3 m-85 -117.95 153.69 33.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -96.44 135.35 38.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.277 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.814 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.0 tp -103.51 110.04 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.777 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 25.9 p -115.45 144.38 43.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.519 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' SER . 36.2 m -121.98 137.84 54.65 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.265 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.554 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 23.3 ptt180 . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.705 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 32' ' ' ARG . 25.6 m -122.84 107.56 12.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.515 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.7 m -87.85 135.67 33.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.696 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.673 ' O ' HD12 ' A' ' 29' ' ' LEU . 55.0 p90 -160.37 153.84 22.21 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.553 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.9 m -89.99 142.39 27.75 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.722 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.793 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -137.22 156.61 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.631 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 7' ' ' THR . 5.0 t -83.63 66.78 9.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.556 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.553 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 138.93 -170.73 23.91 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.632 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 20.4 ttp180 -71.89 156.97 38.68 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 120.847 0.356 . . . . 0.0 110.605 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.793 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.6 m -104.62 -165.46 1.14 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.584 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.525 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.18 162.97 21.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.659 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -60.56 -43.21 97.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -57.73 -29.16 64.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.329 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.674 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.1 mt-10 -73.98 165.4 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 31' ' ' CYS . 5.0 p -132.98 132.79 42.33 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -77.76 131.09 37.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.901 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.79 ' OG ' HD23 ' A' ' 29' ' ' LEU . 87.1 p -111.8 -27.58 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.68 -179.84 44.8 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 p -96.72 117.44 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.361 . . . . 0.0 110.189 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 27' ' ' TYR . 6.5 m -78.45 175.05 10.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.623 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -140.55 107.73 5.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.019 179.743 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.807 HD12 ' CD2' ' A' ' 27' ' ' TYR . 71.1 mt -132.01 141.28 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.697 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.1 p 53.96 22.99 3.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.609 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.0 -17.19 43.07 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -91.96 145.02 24.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.0 110.583 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.4 pp -71.15 132.09 44.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.807 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.1 m-85 -114.48 161.7 17.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.588 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -101.37 131.78 47.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.272 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.79 HD23 ' OG ' ' A' ' 17' ' ' SER . 47.0 tp -101.3 105.81 16.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.848 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.674 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.8 p -110.43 144.11 39.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.3 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' SER . 31.2 m -119.3 136.63 54.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.521 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 2' ' ' THR . 24.6 ptt85 . . . . . 0 C--O 1.216 -0.665 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.875 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.413 ' HB1' ' N ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.586 ' N ' ' O ' ' A' ' 32' ' ' ARG . 53.5 m -122.12 107.73 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.483 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.6 m -85.21 136.33 33.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.775 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.677 ' O ' HD12 ' A' ' 29' ' ' LEU . 47.9 p90 -163.6 152.95 14.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.484 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.0 m -90.54 140.72 29.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.664 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.0 ptm180 -135.88 157.37 47.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 7' ' ' THR . 2.2 t -87.71 64.07 7.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.441 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.656 ' O ' ' NE ' ' A' ' 6' ' ' ARG . . . 144.77 -172.92 25.51 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.616 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 48.1 ttp180 -69.38 157.56 36.81 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.943 0.402 . . . . 0.0 110.582 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.664 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 8.7 m -107.89 -167.16 1.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.474 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.665 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.2 158.42 26.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.627 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -60.62 -42.05 96.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.376 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -58.6 -30.74 67.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.466 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.665 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.9 mt-10 -70.78 173.63 7.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.418 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 p -136.18 129.47 31.73 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.015 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -79.4 126.53 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.968 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.783 ' OG ' HD23 ' A' ' 29' ' ' LEU . 52.7 p -105.38 -28.34 10.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.93 -179.86 42.01 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.67 HG21 HD23 ' A' ' 26' ' ' LEU . 7.6 p -96.37 117.5 40.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.929 0.395 . . . . 0.0 110.1 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 10.7 m -73.81 -173.84 1.64 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.455 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -152.32 105.24 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.331 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.528 ' O ' ' OG ' ' A' ' 23' ' ' SER . 6.3 mm -122.24 132.84 70.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.711 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.528 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER 54.85 30.69 14.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.718 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.32 -14.35 40.52 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 78.7 ttt180 -87.59 155.93 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.693 0.282 . . . . 0.0 110.454 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.67 HD23 HG21 ' A' ' 19' ' ' VAL . 8.7 mp -86.81 130.37 34.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 20' ' ' CYS . 8.3 m-85 -116.97 156.38 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.552 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.572 ' HG3' HD11 ' A' ' 16' ' ' LEU . 2.6 tpt180 -96.0 132.51 41.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.113 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.783 HD23 ' OG ' ' A' ' 17' ' ' SER . 30.8 tp -105.01 113.53 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 16.3 p -120.72 144.07 48.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.466 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.473 ' N ' ' O ' ' A' ' 15' ' ' SER . 53.3 m -118.97 137.81 53.24 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.304 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.586 ' O ' ' N ' ' A' ' 2' ' ' THR . 28.6 ptt180 . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.669 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.476 ' HB1' ' N ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.7 m -120.8 111.31 17.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -86.16 135.62 33.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.745 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.641 ' O ' HD12 ' A' ' 29' ' ' LEU . 48.0 p90 -162.13 154.2 19.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.501 ' HB2' HD11 ' A' ' 22' ' ' ILE . 5.5 m -91.13 142.44 27.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.35 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.673 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.6 ptm180 -137.72 157.3 46.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.633 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 7' ' ' THR . 7.1 t -87.4 66.44 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.628 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.459 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 143.51 -170.0 25.74 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.581 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 50.0 ttp180 -72.31 155.66 39.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.898 0.38 . . . . 0.0 110.583 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.673 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 8.8 m -105.3 -166.45 1.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.535 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.672 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.67 159.43 23.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.544 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -61.28 -42.58 98.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.512 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -58.59 -29.42 66.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.402 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.672 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.8 mt-10 -72.64 169.87 15.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.514 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 6.0 p -134.98 132.88 38.88 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -79.19 125.92 30.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.82 -179.666 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.788 ' OG ' HD23 ' A' ' 29' ' ' LEU . 77.3 p -105.35 -21.34 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.77 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.95 -179.83 39.92 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.1 p -96.41 117.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.003 0.43 . . . . 0.0 110.173 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.7 ' N ' ' O ' ' A' ' 27' ' ' TYR . 5.2 m -76.85 177.31 7.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.458 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -143.48 107.5 4.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.2 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.735 HD12 ' CD2' ' A' ' 27' ' ' TYR . 75.4 mt -132.08 132.55 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.463 ' C ' ' H ' ' A' ' 25' ' ' ARG . 4.9 p 56.8 41.87 27.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.761 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.11 -5.19 2.86 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' H ' ' C ' ' A' ' 23' ' ' SER . 67.8 ttt180 -101.84 139.73 37.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.79 135.96 48.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.699 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.735 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.2 m-85 -119.84 162.68 18.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -102.13 131.39 48.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.228 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.788 HD23 ' OG ' ' A' ' 17' ' ' SER . 39.7 tp -101.66 104.17 14.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.731 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.669 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 19.7 p -110.52 142.92 41.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' SER . 39.5 m -118.62 135.88 54.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.371 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.476 ' N ' ' HB1' ' A' ' 1' ' ' ALA . 21.3 ptt85 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.713 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 32' ' ' ARG . 54.3 m -122.45 108.35 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.9 m -86.82 135.7 33.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.524 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.643 ' O ' HD12 ' A' ' 29' ' ' LEU . 43.8 p90 -162.54 152.85 16.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.563 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.556 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.5 m -90.08 142.04 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.644 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.798 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -136.73 152.67 50.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.596 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.408 ' H ' HG22 ' A' ' 7' ' ' THR . 2.8 t -83.95 60.34 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.551 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.494 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 151.69 -166.62 30.84 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.681 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 47.8 mtt85 -75.53 158.74 32.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.963 0.411 . . . . 0.0 110.879 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.798 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.0 m -109.12 -169.93 1.57 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.689 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.619 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.4 160.77 25.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.425 . . . . 0.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.7 m -61.43 -41.92 97.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -58.95 -30.41 67.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.403 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.684 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.5 mt-10 -71.15 169.47 15.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.581 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.556 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.0 p -138.22 134.23 34.2 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -78.4 126.96 31.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.767 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.737 ' OG ' HD23 ' A' ' 29' ' ' LEU . 80.8 p -106.47 -19.97 13.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.22 -179.68 40.15 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.487 HG21 HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -96.33 117.63 41.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 110.213 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.672 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.2 m -78.7 174.58 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.535 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.1 mp0 -141.77 108.02 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.039 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.898 HD12 ' CD2' ' A' ' 27' ' ' TYR . 68.4 mt -130.39 135.98 59.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 p 57.54 25.78 11.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.847 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.52 1.28 86.22 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.4 ttm-85 -106.67 146.55 30.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.762 0.315 . . . . 0.0 110.525 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.487 HD22 HG21 ' A' ' 19' ' ' VAL . 97.3 mt -70.71 132.0 44.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.807 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.898 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.4 m-85 -119.83 160.54 22.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.489 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -102.34 131.65 48.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.375 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.737 HD23 ' OG ' ' A' ' 17' ' ' SER . 39.7 tp -102.63 101.7 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 25.6 p -105.48 144.52 32.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.421 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.556 ' N ' ' O ' ' A' ' 15' ' ' SER . 36.9 m -120.91 132.67 55.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.276 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 2' ' ' THR . 22.6 ptt85 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.583 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 52.4 m -121.98 109.14 14.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.599 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -87.3 135.99 33.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.57 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.586 ' O ' HD12 ' A' ' 29' ' ' LEU . 50.1 p90 -161.92 153.49 18.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.353 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.3 m -90.31 146.56 24.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 1.5 ptp180 -141.41 156.46 45.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.516 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 25.6 m -83.27 59.54 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 148.77 -164.7 29.16 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.697 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 29.6 mtm180 -79.0 157.99 28.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.8 m -104.51 -166.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.44 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.536 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -82.83 162.78 21.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.599 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -60.59 -43.23 97.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.468 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.409 ' HD3' HH11 ' A' ' 13' ' ' ARG . 26.1 mmt180 -57.75 -30.61 65.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.339 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -71.33 164.56 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.71 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.564 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.2 p -130.69 133.03 45.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -79.01 126.0 30.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.735 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.757 ' OG ' HD23 ' A' ' 29' ' ' LEU . 54.0 p -106.33 -23.21 12.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.699 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.05 -179.96 42.01 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.714 HG21 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.37 117.52 40.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.878 0.37 . . . . 0.0 110.314 -179.745 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.685 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.9 m -78.67 177.64 8.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.579 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' HD13 ' A' ' 22' ' ' ILE . 97.4 mt-10 -148.64 112.42 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.558 ' O ' ' OG ' ' A' ' 23' ' ' SER . 5.5 mm -128.57 133.44 66.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.558 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 2.9 p 54.89 29.76 12.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.444 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.74 -16.87 23.93 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 59.1 ttt-85 -83.0 154.55 24.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.81 0.338 . . . . 0.0 110.5 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 19' ' ' VAL . 3.8 mm? -81.11 131.11 35.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.685 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.7 m-85 -120.34 155.24 33.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.608 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 8.2 mpt_? -100.45 134.9 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.46 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.757 HD23 ' OG ' ' A' ' 17' ' ' SER . 40.9 tp -104.08 105.2 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.6 p -110.7 146.89 35.47 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.372 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' A' ' 15' ' ' SER . 35.4 m -122.94 141.23 52.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.562 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.574 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 27.5 ptt180 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.736 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' ARG . 58.8 m -123.28 111.12 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.674 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HB3' HD11 ' A' ' 29' ' ' LEU . 72.1 m -87.45 135.67 33.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.692 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.5 p90 -161.35 154.65 21.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.512 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.572 ' HB2' HD11 ' A' ' 22' ' ' ILE . 4.3 m -91.0 141.66 28.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.464 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.797 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -139.67 155.11 47.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.627 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.7 m -80.03 72.9 6.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.471 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.422 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 132.24 -174.38 20.33 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -70.27 160.47 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.767 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.797 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.6 m -105.42 -163.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.656 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -85.39 164.99 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -61.0 -42.71 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -57.72 -29.07 64.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.118 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.676 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.8 mt-10 -75.48 170.37 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.5 p -137.49 132.55 33.46 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.902 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -78.48 124.96 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.73 0.644 . . . . 0.0 110.868 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.777 ' OG ' HD23 ' A' ' 29' ' ' LEU . 54.8 p -106.23 -22.63 12.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.15 -179.79 40.6 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.754 HG21 HD23 ' A' ' 26' ' ' LEU . 7.2 p -96.49 117.13 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.954 0.407 . . . . 0.0 110.156 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.699 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.7 m -74.87 175.5 7.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -141.5 107.08 5.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.966 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.8 HD12 ' CD2' ' A' ' 27' ' ' TYR . 70.1 mt -129.97 136.48 58.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 25' ' ' ARG . 1.2 p 51.29 38.18 20.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.731 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.56 -14.17 3.48 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 23' ' ' SER . 57.4 ttp180 -93.13 139.46 30.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.951 0.405 . . . . 0.0 110.654 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.754 HD23 HG21 ' A' ' 19' ' ' VAL . 8.0 mp -71.35 137.16 48.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.801 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.8 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.5 m-85 -120.58 161.27 21.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.572 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.507 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 6.7 mpt_? -99.3 129.43 45.52 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.777 HD23 ' OG ' ' A' ' 17' ' ' SER . 44.5 tp -100.18 107.48 19.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.098 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.676 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.3 p -112.64 146.87 37.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.401 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 15' ' ' SER . 44.0 m -122.67 138.52 54.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.484 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 2' ' ' THR . 28.0 ptt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.822 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' ARG . 94.2 m -120.28 109.79 15.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.462 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.2 m -86.35 135.62 33.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.658 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.0 p90 -165.05 153.15 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.1 m -90.79 145.75 24.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.79 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 4.3 ptp180 -143.54 154.85 44.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.465 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -80.84 75.33 7.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.464 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.424 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 131.94 176.75 14.54 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.437 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 56.5 ttp180 -62.62 157.87 19.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.732 0.301 . . . . 0.0 110.386 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.79 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 11.8 m -104.47 -166.06 1.2 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.558 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -82.51 163.35 21.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.687 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.4 m -60.37 -42.8 96.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 mmt-85 -58.23 -29.7 65.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.367 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.671 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -74.88 163.26 27.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.531 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.578 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.2 p -131.63 134.44 45.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.756 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.714 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -77.52 123.84 27.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.735 ' OG ' HD23 ' A' ' 29' ' ' LEU . 38.9 p -103.89 -28.46 11.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.752 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.6 -179.75 46.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 p -96.58 117.98 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.399 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.709 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.3 m -81.02 -175.67 5.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.447 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.768 ' O ' HD13 ' A' ' 22' ' ' ILE . 7.8 pt-20 -153.09 113.91 4.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.464 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.768 HD13 ' O ' ' A' ' 21' ' ' GLU . 7.0 mm -131.34 139.9 49.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.617 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.5 p 52.3 23.1 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.66 -24.27 18.33 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -80.89 141.33 34.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.312 . . . . 0.0 110.722 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.853 HD12 ' C ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -67.93 134.06 50.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.026 0.441 . . . . 0.0 110.673 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.709 ' O ' ' N ' ' A' ' 20' ' ' CYS . 5.1 m-85 -118.06 159.39 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.737 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -102.9 132.03 49.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.204 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.735 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.4 tp -101.14 108.44 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.671 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 24.6 p -111.45 146.81 36.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.441 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.578 ' N ' ' O ' ' A' ' 15' ' ' SER . 36.9 m -122.95 134.14 54.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.345 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 2' ' ' THR . 6.0 ptm180 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.686 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.491 ' HB1' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' ARG . 45.2 m -118.43 108.53 15.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.396 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.9 m -87.44 135.91 33.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.834 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.665 ' OH ' ' NH1' ' A' ' 32' ' ' ARG . 55.6 p90 -164.85 154.76 13.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.451 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.524 ' HB2' HD11 ' A' ' 22' ' ' ILE . 5.2 m -90.86 143.08 27.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.371 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.688 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.2 ptm180 -137.12 157.92 45.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.591 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 28.8 m -85.55 73.08 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.403 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.18 -172.84 21.31 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.76 HH12 HD23 ' A' ' 16' ' ' LEU . 19.9 tpt85 -69.19 155.93 39.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.825 0.345 . . . . 0.0 110.343 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.688 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 6.8 m -104.56 -167.26 1.33 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.376 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.649 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.38 160.78 25.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -61.35 -42.77 99.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.745 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -58.38 -29.51 66.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.373 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.7 mt-10 -72.95 167.8 20.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.1 p -132.68 130.7 40.45 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.993 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.76 HD23 HH12 ' A' ' 9' ' ' ARG . 0.2 OUTLIER -77.92 111.93 14.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.834 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.783 ' OG ' HD23 ' A' ' 29' ' ' LEU . 36.7 p -91.34 -22.45 20.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.935 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.35 -179.67 41.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 26' ' ' LEU . 8.3 p -96.44 126.13 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.261 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.671 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.3 m -91.16 168.95 11.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.448 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -142.37 112.3 6.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.99 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.949 HD12 ' CD2' ' A' ' 27' ' ' TYR . 54.8 mt -128.51 135.7 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.682 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER 54.01 36.52 24.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.952 0.406 . . . . 0.0 110.663 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.65 -11.48 7.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 55.8 ttt85 -87.02 158.19 19.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.836 0.351 . . . . 0.0 110.569 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.551 HD21 HG21 ' A' ' 19' ' ' VAL . 15.9 tp -88.2 125.58 34.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.47 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.949 ' CD2' HD12 ' A' ' 22' ' ' ILE . 7.9 m-85 -116.38 159.54 21.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.546 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.516 ' NH1' ' CD ' ' A' ' 9' ' ' ARG . 99.5 mtt180 -107.45 135.74 48.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.492 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.783 HD23 ' OG ' ' A' ' 17' ' ' SER . 46.4 tp -101.35 108.03 19.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.59 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 20.6 p -112.96 146.15 39.52 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.284 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' SER . 48.0 m -123.19 139.2 54.3 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.362 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.665 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 27.3 ptt180 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.989 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.5 m -123.07 112.1 17.35 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.542 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -86.43 135.66 33.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.762 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.645 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.1 p90 -161.46 155.25 21.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.627 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.522 ' HB2' HD11 ' A' ' 22' ' ' ILE . 4.6 m -90.75 142.52 27.67 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.707 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 4.8 ptm180 -136.16 157.97 45.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.766 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 7' ' ' THR . 8.3 t -85.83 74.43 10.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.661 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.465 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 132.02 -163.11 23.92 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.578 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -76.67 158.36 31.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.29 0.567 . . . . 0.0 110.592 179.493 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.707 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 15.4 m -106.1 -163.13 0.91 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.42 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.648 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -87.92 159.96 18.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.7 m -60.92 -42.59 98.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -57.89 -30.13 65.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.389 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.678 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.9 mt-10 -72.05 174.8 6.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.627 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.5 p -137.68 128.63 27.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -78.79 126.71 31.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.663 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.769 ' OG ' HD23 ' A' ' 29' ' ' LEU . 68.4 p -107.36 -21.31 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.04 -179.73 40.02 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.674 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.8 p -96.47 117.68 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.04 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.688 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.4 m -75.69 173.48 11.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.58 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -139.24 106.56 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.14 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.812 HD12 ' CD2' ' A' ' 27' ' ' TYR . 69.7 mt -129.23 135.34 62.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.484 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.3 p 53.48 37.23 25.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.781 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.6 -1.61 27.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -103.7 148.39 26.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.475 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 2.7 mm? -76.85 134.31 39.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.799 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.812 ' CD2' HD12 ' A' ' 22' ' ' ILE . 7.2 m-85 -120.95 161.89 20.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.573 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -101.66 131.67 47.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.116 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.769 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.1 tp -102.86 103.69 13.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.754 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.678 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 15.4 p -111.0 143.61 41.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.474 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' SER . 34.9 m -118.06 139.29 51.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.328 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 32' ' ' ARG . 10.6 ptt180 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.883 -1.056 . . . . 0.0 110.631 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 32' ' ' ARG . 99.5 m -122.18 110.49 15.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.557 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.3 m -85.83 135.54 33.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.705 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.655 ' O ' HD12 ' A' ' 29' ' ' LEU . 44.2 p90 -164.85 153.69 12.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.618 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.554 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.9 m -90.04 142.17 27.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.592 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.6 OUTLIER -136.59 155.85 49.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.685 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 7' ' ' THR . 29.1 m -81.33 71.55 8.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.573 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.09 -176.99 19.26 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -66.34 156.9 33.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.796 0.331 . . . . 0.0 110.431 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 6.4 m -104.51 -169.41 1.62 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -79.6 161.58 25.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.7 m -59.65 -42.53 93.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.421 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 13' ' ' ARG . 80.3 mmt-85 -58.16 -30.57 66.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.289 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.647 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.1 mt-10 -71.96 162.9 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.724 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.593 ' O ' ' N ' ' A' ' 31' ' ' CYS . 3.9 p -130.01 133.14 46.56 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -79.85 126.15 30.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.034 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.77 ' OG ' HD23 ' A' ' 29' ' ' LEU . 45.3 p -106.44 -21.7 13.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.62 -179.65 41.96 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.669 HG23 HD21 ' A' ' 26' ' ' LEU . 12.2 p -96.51 126.24 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.228 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.674 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.8 m -92.38 172.12 8.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.719 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -145.49 111.99 5.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.054 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.825 HD12 ' CD2' ' A' ' 27' ' ' TYR . 59.0 mt -132.56 140.9 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.774 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 p 58.49 24.42 11.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.551 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.68 1.7 87.16 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 57.2 ttp180 -105.39 158.81 16.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.791 0.329 . . . . 0.0 110.756 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.7 ' C ' HD23 ' A' ' 26' ' ' LEU . 8.3 tt -79.05 130.48 35.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.825 ' CD2' HD12 ' A' ' 22' ' ' ILE . 7.8 m-85 -121.61 156.9 31.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.589 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -105.2 135.02 47.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.195 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.77 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.8 tp -102.04 103.54 14.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.647 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.9 p -109.24 145.84 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.461 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.593 ' N ' ' O ' ' A' ' 15' ' ' SER . 37.2 m -120.67 139.3 53.21 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.255 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.558 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 29.9 ptt180 . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.647 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.444 ' HB1' ' N ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.8 m -116.71 110.72 18.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.932 0.396 . . . . 0.0 110.533 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.5 m -86.68 135.79 33.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.699 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.655 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.4 p90 -162.56 157.17 21.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.489 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.556 ' HB2' HD11 ' A' ' 22' ' ' ILE . 4.2 m -92.58 141.95 27.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.657 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 6.7 ptm180 -137.15 157.22 47.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 7' ' ' THR . 86.2 m -83.26 64.95 8.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.616 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 140.71 -170.04 24.64 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.657 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 44.2 mtt180 -74.27 158.67 33.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.632 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.4 m -104.65 -164.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.638 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.419 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -86.57 163.77 17.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.595 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -59.49 -42.19 91.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -57.27 -30.35 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.391 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.684 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -74.66 167.6 21.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.507 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.569 ' O ' ' N ' ' A' ' 31' ' ' CYS . 2.5 p -134.33 130.98 37.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -78.15 127.95 33.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.74 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.783 ' OG ' HD23 ' A' ' 29' ' ' LEU . 67.7 p -108.58 -23.92 11.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.763 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.8 -179.95 42.44 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 19' ' ' VAL . 12.3 p -96.24 117.29 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.971 0.415 . . . . 0.0 110.246 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.8 m -77.2 173.75 11.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.658 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -141.96 108.47 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.115 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.899 HD12 ' CD2' ' A' ' 27' ' ' TYR . 75.5 mt -128.7 135.29 62.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.811 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER 54.92 26.41 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.654 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.42 -12.15 52.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -91.37 147.17 23.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.484 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.519 HD22 HG21 ' A' ' 19' ' ' VAL . 43.0 mt -74.55 133.99 42.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.899 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.4 m-85 -121.2 159.73 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.701 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.6 mmt-85 -100.91 131.81 46.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.245 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.783 HD23 ' OG ' ' A' ' 17' ' ' SER . 48.2 tp -101.83 101.66 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.68 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.6 p -108.13 145.72 33.71 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.407 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' A' ' 15' ' ' SER . 35.6 m -120.78 133.32 55.33 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.301 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.581 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 23.9 ptt180 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.721 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 18.7 m -120.84 111.21 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.717 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -88.08 135.69 33.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.592 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.609 ' O ' HD12 ' A' ' 29' ' ' LEU . 48.4 p90 -160.13 151.01 18.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.518 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.532 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.3 m -90.46 142.82 27.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.553 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.823 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 3.3 ptp180 -138.81 152.35 47.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.453 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.438 ' CB ' HH22 ' A' ' 25' ' ' ARG . 2.8 t -79.28 63.47 3.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.708 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.21 -171.51 27.86 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -73.65 159.06 33.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.747 0.308 . . . . 0.0 110.73 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.823 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 3.9 m -106.11 -167.75 1.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.556 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.53 162.13 23.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.656 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -60.23 -43.4 96.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.52 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -58.1 -29.32 65.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.458 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.678 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -72.13 166.9 21.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.54 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.3 p -134.01 134.1 42.06 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -79.5 125.59 29.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.588 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.75 ' OG ' HD23 ' A' ' 29' ' ' LEU . 62.1 p -104.52 -24.57 13.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.709 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.55 -179.6 41.41 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 19' ' ' VAL . 12.3 p -96.61 120.46 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.152 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 4.9 m -81.35 178.13 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.697 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.484 ' HG3' HD23 ' A' ' 26' ' ' LEU . 56.7 mp0 -142.27 106.02 4.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.317 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.856 HD12 ' CD2' ' A' ' 27' ' ' TYR . 68.8 mt -129.73 138.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.791 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 p 58.32 25.31 12.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.698 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.17 5.57 89.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.807 ' NH2' ' CZ ' ' A' ' 27' ' ' TYR . 69.4 ttp85 -113.03 153.12 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.472 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.485 HD22 ' CG2' ' A' ' 19' ' ' VAL . 43.8 mt -75.78 132.02 40.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.856 ' CD2' HD12 ' A' ' 22' ' ' ILE . 5.7 m-85 -117.93 161.16 20.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.64 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -100.41 129.58 46.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.177 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.75 HD23 ' OG ' ' A' ' 17' ' ' SER . 41.5 tp -101.69 105.26 16.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.678 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 28.0 p -109.41 145.35 36.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' A' ' 15' ' ' SER . 33.1 m -120.85 140.3 51.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.535 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.459 HH11 ' HD2' ' A' ' 32' ' ' ARG . 18.3 ptt85 . . . . . 0 C--O 1.218 -0.572 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.64 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.5 m -122.19 107.02 11.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.551 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.4 m -86.73 135.54 33.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.801 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.564 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.7 p90 -163.49 153.67 15.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.457 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.557 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.9 m -90.06 141.82 28.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.528 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.786 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -137.69 157.62 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.696 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.38 73.29 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.437 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.481 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 134.23 -170.87 22.41 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.613 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 56.0 ttp180 -70.42 156.21 39.66 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.825 0.345 . . . . 0.0 110.47 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.786 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.0 m -104.72 -168.35 1.47 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.441 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.616 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -79.59 160.85 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.1 m -60.52 -43.51 97.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.65 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -58.12 -29.96 65.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.424 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.686 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.5 mt-10 -71.66 166.28 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.675 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.4 p -135.63 133.33 38.1 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -75.91 125.71 29.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.68 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.762 ' OG ' HD23 ' A' ' 29' ' ' LEU . 59.0 p -106.59 -26.8 11.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.775 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.18 -179.74 45.33 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 19' ' ' VAL . 1.4 p -96.52 121.57 47.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.891 0.377 . . . . 0.0 110.245 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.649 ' N ' ' O ' ' A' ' 27' ' ' TYR . 7.5 m -83.32 -178.65 7.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.68 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -150.54 106.76 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.206 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.844 HD12 ' CD2' ' A' ' 27' ' ' TYR . 58.7 mt -130.2 134.3 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 p 61.04 27.09 16.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.71 -0.53 81.58 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -105.87 141.31 37.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 110.747 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.656 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.3 pp -70.19 126.77 30.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.621 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.844 ' CD2' HD12 ' A' ' 22' ' ' ILE . 4.8 m-85 -111.2 164.66 12.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.538 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -103.15 132.71 49.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.111 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.762 HD23 ' OG ' ' A' ' 17' ' ' SER . 43.7 tp -101.84 104.54 15.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.76 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.686 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 24.2 p -109.02 146.16 34.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.408 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' A' ' 15' ' ' SER . 42.3 m -123.18 131.52 53.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.395 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.692 -179.86 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.555 ' N ' ' O ' ' A' ' 32' ' ' ARG . 52.0 m -121.93 111.66 17.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.57 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -85.62 135.74 33.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.655 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.586 ' O ' HD12 ' A' ' 29' ' ' LEU . 42.9 p90 -165.61 149.99 8.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.457 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.2 m -91.49 139.52 30.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.685 ' NH1' ' O ' ' A' ' 9' ' ' ARG . 6.9 ptm180 -138.98 152.31 47.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.35 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -76.7 82.22 3.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.808 179.642 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.675 ' C ' ' NH1' ' A' ' 6' ' ' ARG . . . 131.91 -167.37 22.82 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.685 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 76.1 ttt180 -80.67 158.84 25.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 110.65 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.555 ' SG ' ' HD2' ' A' ' 6' ' ' ARG . 1.8 m -104.53 -164.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.546 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.482 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -84.71 161.6 19.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -59.77 -42.18 92.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.359 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -57.59 -31.36 66.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.311 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.704 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.8 mt-10 -71.03 170.23 13.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.53 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 4.4 p -136.58 134.23 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.764 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -78.81 122.46 26.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.815 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.785 ' OG ' HD23 ' A' ' 29' ' ' LEU . 58.5 p -102.49 -23.4 13.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.782 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.45 179.88 40.55 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.783 HG21 HD12 ' A' ' 26' ' ' LEU . 1.4 p -96.41 118.41 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 0.0 110.373 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.691 ' N ' ' O ' ' A' ' 27' ' ' TYR . 6.9 m -79.85 -169.74 2.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.454 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' HD13 ' A' ' 22' ' ' ILE . 10.4 pt-20 -163.3 113.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.351 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.575 ' O ' ' OG ' ' A' ' 23' ' ' SER . 5.4 mm -127.7 134.83 64.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.575 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.6 p 55.88 22.94 6.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.481 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.14 -21.53 33.95 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -79.4 151.18 31.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.869 0.366 . . . . 0.0 110.575 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.783 HD12 HG21 ' A' ' 19' ' ' VAL . 3.3 mm? -76.07 139.81 41.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.691 ' O ' ' N ' ' A' ' 20' ' ' CYS . 11.3 m-85 -130.99 152.61 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.579 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -100.52 134.23 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.478 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.785 HD23 ' OG ' ' A' ' 17' ' ' SER . 37.7 tp -102.29 111.8 24.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.762 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.704 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 30.9 p -116.55 144.06 44.83 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.503 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' SER . 40.0 m -121.38 131.57 54.26 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.465 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 2' ' ' THR . 15.0 ptt180 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.611 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.6 m -120.88 109.66 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.555 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.7 m -87.42 135.89 33.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.681 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.4 p90 -162.08 152.38 17.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.511 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.8 m -92.69 144.04 25.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.396 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.677 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 7.6 ptm180 -136.78 157.53 46.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.887 HG23 ' O ' ' A' ' 7' ' ' THR . 6.7 t -86.17 63.59 8.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.694 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.489 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 145.88 -172.9 26.41 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.648 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 66.0 ttp85 -69.04 154.66 41.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.833 0.349 . . . . 0.0 110.523 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.677 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.9 m -104.67 -167.08 1.31 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.575 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.684 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.69 156.81 24.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.664 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -59.96 -43.0 95.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.685 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 13' ' ' ARG . 37.3 mmt180 -57.9 -30.72 66.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.332 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.684 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 3.0 mt-10 -69.32 172.6 6.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.43 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.521 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.8 p -132.55 128.83 38.1 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.779 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -80.47 125.02 29.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.733 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.858 ' OG ' HD23 ' A' ' 29' ' ' LEU . 59.7 p -102.7 -45.58 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.47 -179.87 42.8 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.637 HG21 HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.75 116.34 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 110.476 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 27' ' ' TYR . 56.1 m -75.84 -167.43 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.265 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' O ' HD13 ' A' ' 22' ' ' ILE . 80.2 tt0 -157.95 106.95 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.342 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.573 ' O ' ' OG ' ' A' ' 23' ' ' SER . 7.2 mm -124.37 131.62 72.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.797 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.573 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 4.1 p 55.11 32.76 18.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.694 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.12 -12.47 24.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 7.7 tpp85 -90.42 142.14 28.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.801 0.334 . . . . 0.0 110.411 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 19' ' ' VAL . 79.7 mt -71.31 133.37 45.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.946 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.673 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.4 m-85 -120.78 149.89 41.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.628 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -94.93 135.52 36.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.341 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.858 HD23 ' OG ' ' A' ' 17' ' ' SER . 44.9 tp -104.07 110.79 23.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 22.9 p -117.56 141.85 47.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.586 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' SER . 35.3 m -118.9 139.85 50.96 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.271 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.658 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 7.7 ptm180 . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.703 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ALA . . . . . 0.457 ' HB1' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 32' ' ' ARG . 86.9 m -118.54 110.28 17.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.188 0.518 . . . . 0.0 110.51 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.8 m -86.84 135.59 33.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.817 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.539 ' O ' HD12 ' A' ' 29' ' ' LEU . 43.9 p90 -165.25 154.59 12.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.802 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.494 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.5 m -90.85 147.42 23.18 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.577 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -138.55 156.47 47.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.759 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 7' ' ' THR . 10.2 t -82.67 71.17 9.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.608 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.584 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.57 -178.37 18.32 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.411 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 59.6 ttp180 -63.04 156.7 24.01 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.476 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.5 m -104.5 -170.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.374 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.502 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.01 163.79 20.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.695 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 m -61.14 -42.82 99.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.606 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -58.31 -29.31 65.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.303 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.704 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -73.02 165.56 24.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.365 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 3.3 p -130.43 126.06 36.03 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.187 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -75.41 129.84 37.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.01 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.669 ' OG ' HD23 ' A' ' 29' ' ' LEU . 77.1 p -113.14 -21.4 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.43 -179.85 40.17 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.634 HG21 HD23 ' A' ' 26' ' ' LEU . 3.8 p -96.92 115.25 35.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.94 0.4 . . . . 0.0 110.205 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.687 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.3 m -73.82 175.52 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.511 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -142.31 108.04 5.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.195 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.909 HD12 ' CD2' ' A' ' 27' ' ' TYR . 57.1 mt -127.25 133.49 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.569 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.4 p 55.74 24.53 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.931 0.396 . . . . 0.0 110.799 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.07 -19.54 41.86 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -86.99 142.63 27.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.841 0.353 . . . . 0.0 110.805 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.634 HD23 HG21 ' A' ' 19' ' ' VAL . 11.2 mp -75.93 132.03 40.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.439 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.909 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.4 m-85 -115.05 163.78 15.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.464 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -98.21 128.84 44.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.669 HD23 ' OG ' ' A' ' 17' ' ' SER . 39.6 tp -99.26 102.91 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.443 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.704 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.8 p -113.27 146.86 38.66 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.211 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' SER . 44.8 m -122.02 143.5 49.46 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.192 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.604 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 11.2 ptm180 . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.808 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 48.2 m -115.52 109.49 17.89 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.0 m -87.84 137.07 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.79 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' TYR . . . . . 0.651 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.4 p90 -164.14 153.1 13.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m -89.91 143.72 26.54 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.661 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.645 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.5 ptm180 -139.58 154.74 47.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.47 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.527 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -82.4 65.31 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.003 0.43 . . . . 0.0 110.554 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.573 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 142.43 -170.36 25.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.627 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 47.5 mtt-85 -73.67 157.38 36.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.965 0.412 . . . . 0.0 110.805 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.645 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 6.4 m -104.83 -164.13 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.756 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.54 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.94 162.44 20.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.73 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.3 m -60.56 -42.98 97.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -58.18 -30.02 66.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.671 ' OE2' ' NH1' ' A' ' 32' ' ' ARG . 2.0 mt-10 -72.46 169.91 15.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.608 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 31' ' ' CYS . 3.2 p -136.03 131.42 34.94 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -78.74 125.33 29.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.924 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.774 ' OG ' HD23 ' A' ' 29' ' ' LEU . 58.5 p -104.98 -23.05 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.017 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.63 -179.82 40.82 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.659 ' O ' HG13 ' A' ' 19' ' ' VAL . 3.4 p -96.36 116.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.686 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.3 m -73.87 174.52 8.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.566 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.0 mp0 -143.63 105.48 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.914 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.481 HD12 ' CD2' ' A' ' 27' ' ' TYR . 74.3 mt -127.38 135.72 62.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 p 59.43 23.41 11.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.699 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.9 4.62 90.24 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -108.65 152.92 24.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 110.694 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 2.5 mm? -78.25 131.79 37.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.697 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.686 ' O ' ' N ' ' A' ' 20' ' ' CYS . 9.1 m-85 -121.45 160.44 24.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.618 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 7.0 mpt_? -100.75 129.27 46.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.268 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.774 HD23 ' OG ' ' A' ' 17' ' ' SER . 40.4 tp -102.19 107.8 18.99 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.624 ' SG ' ' CZ ' ' A' ' 4' ' ' TYR . 25.6 p -112.63 146.64 38.27 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.541 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' SER . 39.6 m -123.36 136.61 54.74 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.147 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.671 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 8.9 ptm180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' ARG . 33.7 m -123.12 109.33 13.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.191 0.519 . . . . 0.0 110.838 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.2 m -85.12 135.61 33.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.681 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.658 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.3 p90 -163.96 156.21 17.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.54 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.59 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.6 m -92.85 146.75 23.4 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.683 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.649 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 8.2 ptm180 -141.6 157.78 44.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.907 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.561 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -85.08 66.76 9.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.524 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.454 ' C ' HH11 ' A' ' 28' ' ' ARG . . . 140.9 -169.49 24.9 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.649 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 60.0 mtm-85 -72.15 157.53 37.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.812 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.644 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 1.7 m -105.14 -166.5 1.23 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.447 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.83 163.61 20.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.725 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 84.1 m -61.63 -43.5 98.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.648 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 -57.6 -28.79 63.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.694 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.9 mt-10 -74.08 171.25 13.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.675 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.3 p -140.49 131.77 26.64 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -75.91 126.43 30.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.151 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.761 ' OG ' HD23 ' A' ' 29' ' ' LEU . 61.8 p -108.54 -21.22 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.13 -179.86 40.55 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -97.24 119.2 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 0.0 110.255 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.687 ' N ' ' O ' ' A' ' 27' ' ' TYR . 5.4 m -78.67 178.28 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.457 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -146.12 108.15 4.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.992 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.819 HD12 ' CD2' ' A' ' 27' ' ' TYR . 47.8 mt -130.69 135.1 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.755 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p 58.08 26.88 14.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.01 -6.97 60.93 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -98.12 142.82 29.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 110.616 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.5 pp -72.38 128.77 36.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.738 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.819 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.9 m-85 -114.75 161.65 17.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.232 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.474 HH11 ' N ' ' A' ' 9' ' ' ARG . 68.8 mtt180 -101.5 133.6 45.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.761 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.8 tp -101.98 108.57 20.06 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.727 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.694 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.6 p -112.06 148.21 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.2 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 15' ' ' SER . 54.6 m -125.13 133.46 52.83 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.311 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.637 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 8.3 ptm180 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.958 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.3 m -123.0 109.87 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.041 0.448 . . . . 0.0 110.574 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.7 m -85.75 135.46 33.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.758 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.594 ' O ' HD12 ' A' ' 29' ' ' LEU . 50.1 p90 -163.28 153.86 16.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.463 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.558 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.7 m -90.71 141.48 28.75 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.74 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.791 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 1.9 ptp180 -137.8 152.63 49.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.696 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.459 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.1 OUTLIER -81.7 77.32 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 179.357 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.42 -173.07 20.95 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.688 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 21.3 mtm180 -70.98 156.42 39.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.395 . . . . 0.0 110.789 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.791 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.1 m -104.66 -167.52 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.626 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.611 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.7 160.02 25.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.545 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.7 m -60.4 -42.7 96.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -58.51 -31.03 67.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.369 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.685 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -70.56 166.85 19.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.68 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' CYS . 5.9 p -135.06 132.62 38.43 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.24 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -77.28 128.05 33.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.912 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.688 ' OG ' HD23 ' A' ' 29' ' ' LEU . 67.7 p -109.16 -22.02 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.15 -179.92 41.52 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.626 ' CG2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.7 124.87 49.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.181 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.638 ' N ' ' O ' ' A' ' 27' ' ' TYR . 7.4 m -87.53 176.48 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.487 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -142.84 109.77 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.306 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.922 HD12 ' CD2' ' A' ' 27' ' ' TYR . 64.7 mt -132.05 135.11 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.663 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 p 58.45 26.56 14.35 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.762 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 -10.37 55.63 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 25' ' ' ARG . 42.4 ttm180 -96.59 147.58 23.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.855 0.359 . . . . 0.0 110.594 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.626 HD22 ' CG2' ' A' ' 19' ' ' VAL . 78.4 mt -75.16 132.23 41.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.922 ' CD2' HD12 ' A' ' 22' ' ' ILE . 5.9 m-85 -115.44 163.4 15.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.464 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 2.5 mpt_? -103.47 132.36 49.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.186 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.688 HD23 ' OG ' ' A' ' 17' ' ' SER . 38.5 tp -100.76 102.63 13.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.304 . . . . 0.0 110.768 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.685 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.4 p -107.55 144.13 35.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.54 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 15' ' ' SER . 40.1 m -119.82 132.57 55.63 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.281 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 8.7 ptt180 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.566 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.3 m -123.17 110.99 15.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.558 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.8 m -86.06 135.65 33.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.935 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.604 ' O ' HD12 ' A' ' 29' ' ' LEU . 48.7 p90 -163.86 150.77 11.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.6 m -90.66 147.14 23.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.673 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 8.4 ptm180 -141.12 158.0 44.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.744 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.906 HG23 ' O ' ' A' ' 7' ' ' THR . 7.1 t -84.28 70.56 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.591 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 136.97 -178.2 19.12 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.641 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 51.2 ttt85 -64.22 159.34 20.94 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.816 0.341 . . . . 0.0 110.526 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.673 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.9 m -108.75 -165.63 1.04 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.488 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.25 160.01 21.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.631 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.7 m -60.79 -42.37 97.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.471 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -57.72 -31.24 66.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.179 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -70.45 172.53 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' CYS . 5.1 p -138.3 131.38 30.02 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -77.18 129.34 35.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.071 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.814 ' OG ' HD23 ' A' ' 29' ' ' LEU . 83.9 p -109.97 -28.93 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.799 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.74 -179.99 43.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.608 ' CG2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.58 117.37 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.452 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 43.0 m -77.59 -163.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.15 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' ' 22' ' ' ILE . 44.0 tt0 -163.34 107.84 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.098 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.575 ' O ' ' OG ' ' A' ' 23' ' ' SER . 7.1 mm -124.49 135.44 63.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.575 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER 57.22 25.16 10.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.55 -15.49 54.33 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' NH2' ' OG1' ' A' ' 7' ' ' THR . 60.8 ttp180 -88.36 153.46 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.637 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.608 HD22 ' CG2' ' A' ' 19' ' ' VAL . 76.2 mt -79.64 131.35 35.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.3 m-85 -117.95 153.69 33.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -96.44 135.35 38.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.277 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.814 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.0 tp -103.51 110.04 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.777 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 25.9 p -115.45 144.38 43.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.519 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' SER . 36.2 m -121.98 137.84 54.65 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.265 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.554 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 23.3 ptt180 . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.705 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 32' ' ' ARG . 25.6 m -122.84 107.56 12.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.515 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.7 m -87.85 135.67 33.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.696 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.673 ' O ' HD12 ' A' ' 29' ' ' LEU . 55.0 p90 -160.37 153.84 22.21 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.553 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.9 m -89.99 142.39 27.75 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.722 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.793 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -137.22 156.61 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.631 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 7' ' ' THR . 5.0 t -83.63 66.78 9.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.556 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.553 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 138.93 -170.73 23.91 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.632 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 20.4 ttp180 -71.89 156.97 38.68 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 120.847 0.356 . . . . 0.0 110.605 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.793 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.6 m -104.62 -165.46 1.14 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.584 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.525 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.18 162.97 21.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.659 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -60.56 -43.21 97.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -57.73 -29.16 64.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.329 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.674 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.1 mt-10 -73.98 165.4 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 31' ' ' CYS . 5.0 p -132.98 132.79 42.33 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -77.76 131.09 37.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.901 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.79 ' OG ' HD23 ' A' ' 29' ' ' LEU . 87.1 p -111.8 -27.58 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.68 -179.84 44.8 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 p -96.72 117.44 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.361 . . . . 0.0 110.189 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 27' ' ' TYR . 6.5 m -78.45 175.05 10.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.623 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -140.55 107.73 5.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.019 179.743 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.807 HD12 ' CD2' ' A' ' 27' ' ' TYR . 71.1 mt -132.01 141.28 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.697 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.1 p 53.96 22.99 3.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.609 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.0 -17.19 43.07 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -91.96 145.02 24.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.0 110.583 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.4 pp -71.15 132.09 44.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.807 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.1 m-85 -114.48 161.7 17.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.588 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -101.37 131.78 47.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.272 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.79 HD23 ' OG ' ' A' ' 17' ' ' SER . 47.0 tp -101.3 105.81 16.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.848 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.674 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.8 p -110.43 144.11 39.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.3 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' SER . 31.2 m -119.3 136.63 54.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.521 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 2' ' ' THR . 24.6 ptt85 . . . . . 0 C--O 1.216 -0.665 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.875 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.413 ' HB1' ' N ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.586 ' N ' ' O ' ' A' ' 32' ' ' ARG . 53.5 m -122.12 107.73 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.483 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.6 m -85.21 136.33 33.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.775 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.677 ' O ' HD12 ' A' ' 29' ' ' LEU . 47.9 p90 -163.6 152.95 14.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.484 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.0 m -90.54 140.72 29.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.664 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.0 ptm180 -135.88 157.37 47.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 7' ' ' THR . 2.2 t -87.71 64.07 7.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.441 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.656 ' O ' ' NE ' ' A' ' 6' ' ' ARG . . . 144.77 -172.92 25.51 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.616 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 48.1 ttp180 -69.38 157.56 36.81 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.943 0.402 . . . . 0.0 110.582 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.664 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 8.7 m -107.89 -167.16 1.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.474 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.665 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.2 158.42 26.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.627 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -60.62 -42.05 96.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.376 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -58.6 -30.74 67.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.466 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.665 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.9 mt-10 -70.78 173.63 7.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.418 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 p -136.18 129.47 31.73 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.015 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -79.4 126.53 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.968 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.783 ' OG ' HD23 ' A' ' 29' ' ' LEU . 52.7 p -105.38 -28.34 10.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.93 -179.86 42.01 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.67 HG21 HD23 ' A' ' 26' ' ' LEU . 7.6 p -96.37 117.5 40.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.929 0.395 . . . . 0.0 110.1 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 10.7 m -73.81 -173.84 1.64 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.455 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -152.32 105.24 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.331 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.528 ' O ' ' OG ' ' A' ' 23' ' ' SER . 6.3 mm -122.24 132.84 70.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.711 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.528 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER 54.85 30.69 14.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.718 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.32 -14.35 40.52 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 78.7 ttt180 -87.59 155.93 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.693 0.282 . . . . 0.0 110.454 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.67 HD23 HG21 ' A' ' 19' ' ' VAL . 8.7 mp -86.81 130.37 34.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 20' ' ' CYS . 8.3 m-85 -116.97 156.38 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.552 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.572 ' HG3' HD11 ' A' ' 16' ' ' LEU . 2.6 tpt180 -96.0 132.51 41.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.113 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.783 HD23 ' OG ' ' A' ' 17' ' ' SER . 30.8 tp -105.01 113.53 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 16.3 p -120.72 144.07 48.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.466 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.473 ' N ' ' O ' ' A' ' 15' ' ' SER . 53.3 m -118.97 137.81 53.24 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.304 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.586 ' O ' ' N ' ' A' ' 2' ' ' THR . 28.6 ptt180 . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.669 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.476 ' HB1' ' N ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.7 m -120.8 111.31 17.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -86.16 135.62 33.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.745 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.641 ' O ' HD12 ' A' ' 29' ' ' LEU . 48.0 p90 -162.13 154.2 19.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.501 ' HB2' HD11 ' A' ' 22' ' ' ILE . 5.5 m -91.13 142.44 27.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.35 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.673 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.6 ptm180 -137.72 157.3 46.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.633 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 7' ' ' THR . 7.1 t -87.4 66.44 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.628 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.459 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 143.51 -170.0 25.74 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.581 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 50.0 ttp180 -72.31 155.66 39.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.898 0.38 . . . . 0.0 110.583 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.673 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 8.8 m -105.3 -166.45 1.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.535 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.672 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.67 159.43 23.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.544 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -61.28 -42.58 98.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.512 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -58.59 -29.42 66.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.402 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.672 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.8 mt-10 -72.64 169.87 15.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.514 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 6.0 p -134.98 132.88 38.88 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -79.19 125.92 30.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.82 -179.666 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.788 ' OG ' HD23 ' A' ' 29' ' ' LEU . 77.3 p -105.35 -21.34 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.77 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.95 -179.83 39.92 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.1 p -96.41 117.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.003 0.43 . . . . 0.0 110.173 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.7 ' N ' ' O ' ' A' ' 27' ' ' TYR . 5.2 m -76.85 177.31 7.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.458 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -143.48 107.5 4.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.2 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.735 HD12 ' CD2' ' A' ' 27' ' ' TYR . 75.4 mt -132.08 132.55 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.463 ' C ' ' H ' ' A' ' 25' ' ' ARG . 4.9 p 56.8 41.87 27.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.761 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.11 -5.19 2.86 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' H ' ' C ' ' A' ' 23' ' ' SER . 67.8 ttt180 -101.84 139.73 37.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.79 135.96 48.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.699 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.735 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.2 m-85 -119.84 162.68 18.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -102.13 131.39 48.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.228 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.788 HD23 ' OG ' ' A' ' 17' ' ' SER . 39.7 tp -101.66 104.17 14.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.731 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.669 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 19.7 p -110.52 142.92 41.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' SER . 39.5 m -118.62 135.88 54.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.371 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.476 ' N ' ' HB1' ' A' ' 1' ' ' ALA . 21.3 ptt85 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.713 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 32' ' ' ARG . 54.3 m -122.45 108.35 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.9 m -86.82 135.7 33.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.524 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.643 ' O ' HD12 ' A' ' 29' ' ' LEU . 43.8 p90 -162.54 152.85 16.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.563 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.556 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.5 m -90.08 142.04 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.644 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.798 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -136.73 152.67 50.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.596 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.408 ' H ' HG22 ' A' ' 7' ' ' THR . 2.8 t -83.95 60.34 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.551 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.494 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 151.69 -166.62 30.84 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.681 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 47.8 mtt85 -75.53 158.74 32.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.963 0.411 . . . . 0.0 110.879 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.798 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.0 m -109.12 -169.93 1.57 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.689 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.619 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.4 160.77 25.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.425 . . . . 0.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.7 m -61.43 -41.92 97.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -58.95 -30.41 67.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.403 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.684 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.5 mt-10 -71.15 169.47 15.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.581 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.556 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.0 p -138.22 134.23 34.2 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -78.4 126.96 31.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.767 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.737 ' OG ' HD23 ' A' ' 29' ' ' LEU . 80.8 p -106.47 -19.97 13.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.22 -179.68 40.15 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.487 HG21 HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -96.33 117.63 41.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 110.213 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.672 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.2 m -78.7 174.58 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.535 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.1 mp0 -141.77 108.02 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.039 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.898 HD12 ' CD2' ' A' ' 27' ' ' TYR . 68.4 mt -130.39 135.98 59.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 p 57.54 25.78 11.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.847 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.52 1.28 86.22 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.4 ttm-85 -106.67 146.55 30.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.762 0.315 . . . . 0.0 110.525 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.487 HD22 HG21 ' A' ' 19' ' ' VAL . 97.3 mt -70.71 132.0 44.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.807 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.898 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.4 m-85 -119.83 160.54 22.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.489 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -102.34 131.65 48.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.375 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.737 HD23 ' OG ' ' A' ' 17' ' ' SER . 39.7 tp -102.63 101.7 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 25.6 p -105.48 144.52 32.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.421 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.556 ' N ' ' O ' ' A' ' 15' ' ' SER . 36.9 m -120.91 132.67 55.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.276 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 2' ' ' THR . 22.6 ptt85 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.583 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 52.4 m -121.98 109.14 14.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.599 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -87.3 135.99 33.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.57 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.586 ' O ' HD12 ' A' ' 29' ' ' LEU . 50.1 p90 -161.92 153.49 18.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.353 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.3 m -90.31 146.56 24.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 1.5 ptp180 -141.41 156.46 45.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.516 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 25.6 m -83.27 59.54 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 148.77 -164.7 29.16 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.697 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 29.6 mtm180 -79.0 157.99 28.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.8 m -104.51 -166.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.44 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.536 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -82.83 162.78 21.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.599 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -60.59 -43.23 97.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.468 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' HD3' HH11 ' A' ' 13' ' ' ARG . 26.1 mmt180 -57.75 -30.61 65.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.339 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -71.33 164.56 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.71 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.564 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.2 p -130.69 133.03 45.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -79.01 126.0 30.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.735 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.757 ' OG ' HD23 ' A' ' 29' ' ' LEU . 54.0 p -106.33 -23.21 12.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.699 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.05 -179.96 42.01 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.714 HG21 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.37 117.52 40.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.878 0.37 . . . . 0.0 110.314 -179.745 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.685 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.9 m -78.67 177.64 8.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.579 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' HD13 ' A' ' 22' ' ' ILE . 97.4 mt-10 -148.64 112.42 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.558 ' O ' ' OG ' ' A' ' 23' ' ' SER . 5.5 mm -128.57 133.44 66.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.558 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 2.9 p 54.89 29.76 12.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.444 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.74 -16.87 23.93 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 59.1 ttt-85 -83.0 154.55 24.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.81 0.338 . . . . 0.0 110.5 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 19' ' ' VAL . 3.8 mm? -81.11 131.11 35.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.685 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.7 m-85 -120.34 155.24 33.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.608 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 8.2 mpt_? -100.45 134.9 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.46 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.757 HD23 ' OG ' ' A' ' 17' ' ' SER . 40.9 tp -104.08 105.2 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.6 p -110.7 146.89 35.47 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.372 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' A' ' 15' ' ' SER . 35.4 m -122.94 141.23 52.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.562 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.574 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 27.5 ptt180 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.736 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' ARG . 58.8 m -123.28 111.12 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.674 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HB3' HD11 ' A' ' 29' ' ' LEU . 72.1 m -87.45 135.67 33.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.692 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.5 p90 -161.35 154.65 21.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.512 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.572 ' HB2' HD11 ' A' ' 22' ' ' ILE . 4.3 m -91.0 141.66 28.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.464 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.797 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -139.67 155.11 47.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.627 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.7 m -80.03 72.9 6.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.471 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.422 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 132.24 -174.38 20.33 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -70.27 160.47 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.767 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.797 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.6 m -105.42 -163.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.656 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -85.39 164.99 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -61.0 -42.71 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -57.72 -29.07 64.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.118 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.676 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.8 mt-10 -75.48 170.37 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.5 p -137.49 132.55 33.46 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.902 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -78.48 124.96 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.73 0.644 . . . . 0.0 110.868 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.777 ' OG ' HD23 ' A' ' 29' ' ' LEU . 54.8 p -106.23 -22.63 12.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.15 -179.79 40.6 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.754 HG21 HD23 ' A' ' 26' ' ' LEU . 7.2 p -96.49 117.13 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.954 0.407 . . . . 0.0 110.156 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.699 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.7 m -74.87 175.5 7.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -141.5 107.08 5.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.966 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.8 HD12 ' CD2' ' A' ' 27' ' ' TYR . 70.1 mt -129.97 136.48 58.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 25' ' ' ARG . 1.2 p 51.29 38.18 20.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.731 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.56 -14.17 3.48 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 23' ' ' SER . 57.4 ttp180 -93.13 139.46 30.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.951 0.405 . . . . 0.0 110.654 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.754 HD23 HG21 ' A' ' 19' ' ' VAL . 8.0 mp -71.35 137.16 48.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.801 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.8 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.5 m-85 -120.58 161.27 21.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.572 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.507 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 6.7 mpt_? -99.3 129.43 45.52 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.777 HD23 ' OG ' ' A' ' 17' ' ' SER . 44.5 tp -100.18 107.48 19.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.098 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.676 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.3 p -112.64 146.87 37.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.401 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 15' ' ' SER . 44.0 m -122.67 138.52 54.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.484 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 2' ' ' THR . 28.0 ptt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.822 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' ARG . 94.2 m -120.28 109.79 15.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.462 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.2 m -86.35 135.62 33.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.658 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.0 p90 -165.05 153.15 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.1 m -90.79 145.75 24.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.79 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 4.3 ptp180 -143.54 154.85 44.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.465 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -80.84 75.33 7.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.464 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.424 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 131.94 176.75 14.54 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.437 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 56.5 ttp180 -62.62 157.87 19.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.732 0.301 . . . . 0.0 110.386 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.79 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 11.8 m -104.47 -166.06 1.2 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.558 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -82.51 163.35 21.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.687 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.4 m -60.37 -42.8 96.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 mmt-85 -58.23 -29.7 65.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.367 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.671 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -74.88 163.26 27.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.531 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.578 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.2 p -131.63 134.44 45.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.756 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.714 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -77.52 123.84 27.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.735 ' OG ' HD23 ' A' ' 29' ' ' LEU . 38.9 p -103.89 -28.46 11.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.752 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.6 -179.75 46.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 p -96.58 117.98 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.399 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.709 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.3 m -81.02 -175.67 5.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.447 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.768 ' O ' HD13 ' A' ' 22' ' ' ILE . 7.8 pt-20 -153.09 113.91 4.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.464 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.768 HD13 ' O ' ' A' ' 21' ' ' GLU . 7.0 mm -131.34 139.9 49.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.617 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.5 p 52.3 23.1 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.66 -24.27 18.33 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -80.89 141.33 34.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.312 . . . . 0.0 110.722 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.853 HD12 ' C ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -67.93 134.06 50.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.026 0.441 . . . . 0.0 110.673 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.709 ' O ' ' N ' ' A' ' 20' ' ' CYS . 5.1 m-85 -118.06 159.39 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.737 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -102.9 132.03 49.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.204 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.735 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.4 tp -101.14 108.44 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.671 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 24.6 p -111.45 146.81 36.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.441 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.578 ' N ' ' O ' ' A' ' 15' ' ' SER . 36.9 m -122.95 134.14 54.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.345 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 2' ' ' THR . 6.0 ptm180 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.686 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.491 ' HB1' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' ARG . 45.2 m -118.43 108.53 15.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.396 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.9 m -87.44 135.91 33.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.834 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.665 ' OH ' ' NH1' ' A' ' 32' ' ' ARG . 55.6 p90 -164.85 154.76 13.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.451 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.524 ' HB2' HD11 ' A' ' 22' ' ' ILE . 5.2 m -90.86 143.08 27.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.371 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.688 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.2 ptm180 -137.12 157.92 45.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.591 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 28.8 m -85.55 73.08 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.403 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.18 -172.84 21.31 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.76 HH12 HD23 ' A' ' 16' ' ' LEU . 19.9 tpt85 -69.19 155.93 39.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.825 0.345 . . . . 0.0 110.343 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.688 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 6.8 m -104.56 -167.26 1.33 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.376 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.649 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.38 160.78 25.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -61.35 -42.77 99.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.745 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -58.38 -29.51 66.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.373 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.7 mt-10 -72.95 167.8 20.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.1 p -132.68 130.7 40.45 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.993 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.76 HD23 HH12 ' A' ' 9' ' ' ARG . 0.2 OUTLIER -77.92 111.93 14.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.834 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.783 ' OG ' HD23 ' A' ' 29' ' ' LEU . 36.7 p -91.34 -22.45 20.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.935 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.35 -179.67 41.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 26' ' ' LEU . 8.3 p -96.44 126.13 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.261 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.671 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.3 m -91.16 168.95 11.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.448 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -142.37 112.3 6.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.99 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.949 HD12 ' CD2' ' A' ' 27' ' ' TYR . 54.8 mt -128.51 135.7 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.682 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER 54.01 36.52 24.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.952 0.406 . . . . 0.0 110.663 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.65 -11.48 7.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 55.8 ttt85 -87.02 158.19 19.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.836 0.351 . . . . 0.0 110.569 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.551 HD21 HG21 ' A' ' 19' ' ' VAL . 15.9 tp -88.2 125.58 34.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.47 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.949 ' CD2' HD12 ' A' ' 22' ' ' ILE . 7.9 m-85 -116.38 159.54 21.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.546 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.516 ' NH1' ' CD ' ' A' ' 9' ' ' ARG . 99.5 mtt180 -107.45 135.74 48.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.492 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.783 HD23 ' OG ' ' A' ' 17' ' ' SER . 46.4 tp -101.35 108.03 19.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.59 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 20.6 p -112.96 146.15 39.52 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.284 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' SER . 48.0 m -123.19 139.2 54.3 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.362 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.665 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 27.3 ptt180 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.989 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.5 m -123.07 112.1 17.35 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.542 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -86.43 135.66 33.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.762 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.645 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.1 p90 -161.46 155.25 21.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.627 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.522 ' HB2' HD11 ' A' ' 22' ' ' ILE . 4.6 m -90.75 142.52 27.67 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.707 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 4.8 ptm180 -136.16 157.97 45.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.766 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 7' ' ' THR . 8.3 t -85.83 74.43 10.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.661 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.465 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 132.02 -163.11 23.92 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.578 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -76.67 158.36 31.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.29 0.567 . . . . 0.0 110.592 179.493 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.707 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 15.4 m -106.1 -163.13 0.91 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.42 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.648 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -87.92 159.96 18.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.7 m -60.92 -42.59 98.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -57.89 -30.13 65.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.389 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.678 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.9 mt-10 -72.05 174.8 6.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.627 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.5 p -137.68 128.63 27.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -78.79 126.71 31.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.663 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.769 ' OG ' HD23 ' A' ' 29' ' ' LEU . 68.4 p -107.36 -21.31 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.04 -179.73 40.02 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.674 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.8 p -96.47 117.68 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.04 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.688 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.4 m -75.69 173.48 11.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.58 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -139.24 106.56 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.14 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.812 HD12 ' CD2' ' A' ' 27' ' ' TYR . 69.7 mt -129.23 135.34 62.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.484 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.3 p 53.48 37.23 25.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.781 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.6 -1.61 27.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -103.7 148.39 26.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.475 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 2.7 mm? -76.85 134.31 39.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.799 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.812 ' CD2' HD12 ' A' ' 22' ' ' ILE . 7.2 m-85 -120.95 161.89 20.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.573 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -101.66 131.67 47.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.116 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.769 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.1 tp -102.86 103.69 13.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.754 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.678 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 15.4 p -111.0 143.61 41.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.474 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' SER . 34.9 m -118.06 139.29 51.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.328 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 32' ' ' ARG . 10.6 ptt180 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.883 -1.056 . . . . 0.0 110.631 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 32' ' ' ARG . 99.5 m -122.18 110.49 15.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.557 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.3 m -85.83 135.54 33.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.705 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.655 ' O ' HD12 ' A' ' 29' ' ' LEU . 44.2 p90 -164.85 153.69 12.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.618 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.554 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.9 m -90.04 142.17 27.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.592 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.6 OUTLIER -136.59 155.85 49.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.685 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 7' ' ' THR . 29.1 m -81.33 71.55 8.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.573 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.09 -176.99 19.26 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -66.34 156.9 33.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.796 0.331 . . . . 0.0 110.431 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 6.4 m -104.51 -169.41 1.62 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -79.6 161.58 25.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.7 m -59.65 -42.53 93.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.421 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 13' ' ' ARG . 80.3 mmt-85 -58.16 -30.57 66.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.289 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.647 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.1 mt-10 -71.96 162.9 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.724 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.593 ' O ' ' N ' ' A' ' 31' ' ' CYS . 3.9 p -130.01 133.14 46.56 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -79.85 126.15 30.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.034 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.77 ' OG ' HD23 ' A' ' 29' ' ' LEU . 45.3 p -106.44 -21.7 13.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.62 -179.65 41.96 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.669 HG23 HD21 ' A' ' 26' ' ' LEU . 12.2 p -96.51 126.24 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.228 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.674 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.8 m -92.38 172.12 8.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.719 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -145.49 111.99 5.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.054 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.825 HD12 ' CD2' ' A' ' 27' ' ' TYR . 59.0 mt -132.56 140.9 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.774 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 p 58.49 24.42 11.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.551 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.68 1.7 87.16 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 57.2 ttp180 -105.39 158.81 16.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.791 0.329 . . . . 0.0 110.756 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.7 ' C ' HD23 ' A' ' 26' ' ' LEU . 8.3 tt -79.05 130.48 35.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.825 ' CD2' HD12 ' A' ' 22' ' ' ILE . 7.8 m-85 -121.61 156.9 31.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.589 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -105.2 135.02 47.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.195 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.77 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.8 tp -102.04 103.54 14.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.647 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.9 p -109.24 145.84 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.461 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.593 ' N ' ' O ' ' A' ' 15' ' ' SER . 37.2 m -120.67 139.3 53.21 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.255 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.558 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 29.9 ptt180 . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.647 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.444 ' HB1' ' N ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.8 m -116.71 110.72 18.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.932 0.396 . . . . 0.0 110.533 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.5 m -86.68 135.79 33.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.699 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.655 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.4 p90 -162.56 157.17 21.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.489 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.556 ' HB2' HD11 ' A' ' 22' ' ' ILE . 4.2 m -92.58 141.95 27.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.657 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 6.7 ptm180 -137.15 157.22 47.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 7' ' ' THR . 86.2 m -83.26 64.95 8.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 140.71 -170.04 24.64 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.657 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 44.2 mtt180 -74.27 158.67 33.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.632 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.4 m -104.65 -164.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.638 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -86.57 163.77 17.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.595 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -59.49 -42.19 91.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -57.27 -30.35 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.391 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.684 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -74.66 167.6 21.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.507 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.569 ' O ' ' N ' ' A' ' 31' ' ' CYS . 2.5 p -134.33 130.98 37.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -78.15 127.95 33.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.74 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.783 ' OG ' HD23 ' A' ' 29' ' ' LEU . 67.7 p -108.58 -23.92 11.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.763 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.8 -179.95 42.44 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 19' ' ' VAL . 12.3 p -96.24 117.29 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.971 0.415 . . . . 0.0 110.246 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.8 m -77.2 173.75 11.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.658 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -141.96 108.47 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.115 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.899 HD12 ' CD2' ' A' ' 27' ' ' TYR . 75.5 mt -128.7 135.29 62.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.811 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER 54.92 26.41 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.654 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.42 -12.15 52.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -91.37 147.17 23.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.484 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.519 HD22 HG21 ' A' ' 19' ' ' VAL . 43.0 mt -74.55 133.99 42.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.899 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.4 m-85 -121.2 159.73 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.701 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.6 mmt-85 -100.91 131.81 46.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.245 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.783 HD23 ' OG ' ' A' ' 17' ' ' SER . 48.2 tp -101.83 101.66 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.68 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.6 p -108.13 145.72 33.71 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.407 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' A' ' 15' ' ' SER . 35.6 m -120.78 133.32 55.33 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.301 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.581 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 23.9 ptt180 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.721 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 18.7 m -120.84 111.21 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.717 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -88.08 135.69 33.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.592 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.609 ' O ' HD12 ' A' ' 29' ' ' LEU . 48.4 p90 -160.13 151.01 18.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.518 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.532 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.3 m -90.46 142.82 27.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.553 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.823 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 3.3 ptp180 -138.81 152.35 47.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.453 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.438 ' CB ' HH22 ' A' ' 25' ' ' ARG . 2.8 t -79.28 63.47 3.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.708 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.21 -171.51 27.86 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -73.65 159.06 33.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.747 0.308 . . . . 0.0 110.73 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.823 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 3.9 m -106.11 -167.75 1.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.556 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.53 162.13 23.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.656 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -60.23 -43.4 96.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.52 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -58.1 -29.32 65.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.458 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.678 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -72.13 166.9 21.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.54 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.3 p -134.01 134.1 42.06 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -79.5 125.59 29.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.588 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.75 ' OG ' HD23 ' A' ' 29' ' ' LEU . 62.1 p -104.52 -24.57 13.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.709 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.55 -179.6 41.41 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 19' ' ' VAL . 12.3 p -96.61 120.46 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.152 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 4.9 m -81.35 178.13 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.697 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.484 ' HG3' HD23 ' A' ' 26' ' ' LEU . 56.7 mp0 -142.27 106.02 4.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.317 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.856 HD12 ' CD2' ' A' ' 27' ' ' TYR . 68.8 mt -129.73 138.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.791 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 p 58.32 25.31 12.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.698 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.17 5.57 89.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.807 ' NH2' ' CZ ' ' A' ' 27' ' ' TYR . 69.4 ttp85 -113.03 153.12 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.472 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.485 HD22 ' CG2' ' A' ' 19' ' ' VAL . 43.8 mt -75.78 132.02 40.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.856 ' CD2' HD12 ' A' ' 22' ' ' ILE . 5.7 m-85 -117.93 161.16 20.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.64 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -100.41 129.58 46.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.177 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.75 HD23 ' OG ' ' A' ' 17' ' ' SER . 41.5 tp -101.69 105.26 16.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.678 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 28.0 p -109.41 145.35 36.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' A' ' 15' ' ' SER . 33.1 m -120.85 140.3 51.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.535 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.459 HH11 ' HD2' ' A' ' 32' ' ' ARG . 18.3 ptt85 . . . . . 0 C--O 1.218 -0.572 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.64 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.5 m -122.19 107.02 11.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.551 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.4 m -86.73 135.54 33.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.801 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.564 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.7 p90 -163.49 153.67 15.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.457 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.557 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.9 m -90.06 141.82 28.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.528 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.786 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -137.69 157.62 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.696 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.38 73.29 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.437 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.481 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 134.23 -170.87 22.41 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.613 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 56.0 ttp180 -70.42 156.21 39.66 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.825 0.345 . . . . 0.0 110.47 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.786 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.0 m -104.72 -168.35 1.47 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.441 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.616 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -79.59 160.85 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.1 m -60.52 -43.51 97.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.65 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -58.12 -29.96 65.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.424 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.686 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.5 mt-10 -71.66 166.28 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.675 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.4 p -135.63 133.33 38.1 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -75.91 125.71 29.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.68 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.762 ' OG ' HD23 ' A' ' 29' ' ' LEU . 59.0 p -106.59 -26.8 11.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.775 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.18 -179.74 45.33 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 19' ' ' VAL . 1.4 p -96.52 121.57 47.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.891 0.377 . . . . 0.0 110.245 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.649 ' N ' ' O ' ' A' ' 27' ' ' TYR . 7.5 m -83.32 -178.65 7.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.68 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -150.54 106.76 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.206 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.844 HD12 ' CD2' ' A' ' 27' ' ' TYR . 58.7 mt -130.2 134.3 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 p 61.04 27.09 16.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.71 -0.53 81.58 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -105.87 141.31 37.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 110.747 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.656 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.3 pp -70.19 126.77 30.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.621 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.844 ' CD2' HD12 ' A' ' 22' ' ' ILE . 4.8 m-85 -111.2 164.66 12.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.538 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -103.15 132.71 49.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.111 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.762 HD23 ' OG ' ' A' ' 17' ' ' SER . 43.7 tp -101.84 104.54 15.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.76 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.686 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 24.2 p -109.02 146.16 34.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.408 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' A' ' 15' ' ' SER . 42.3 m -123.18 131.52 53.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.395 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.692 -179.86 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.555 ' N ' ' O ' ' A' ' 32' ' ' ARG . 52.0 m -121.93 111.66 17.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.57 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -85.62 135.74 33.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.655 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.586 ' O ' HD12 ' A' ' 29' ' ' LEU . 42.9 p90 -165.61 149.99 8.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.457 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.2 m -91.49 139.52 30.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.685 ' NH1' ' O ' ' A' ' 9' ' ' ARG . 6.9 ptm180 -138.98 152.31 47.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.35 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -76.7 82.22 3.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.808 179.642 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.675 ' C ' ' NH1' ' A' ' 6' ' ' ARG . . . 131.91 -167.37 22.82 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.685 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 76.1 ttt180 -80.67 158.84 25.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 110.65 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.555 ' SG ' ' HD2' ' A' ' 6' ' ' ARG . 1.8 m -104.53 -164.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.546 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.482 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -84.71 161.6 19.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -59.77 -42.18 92.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.359 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -57.59 -31.36 66.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.311 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.704 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.8 mt-10 -71.03 170.23 13.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.53 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 4.4 p -136.58 134.23 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.764 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -78.81 122.46 26.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.815 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.785 ' OG ' HD23 ' A' ' 29' ' ' LEU . 58.5 p -102.49 -23.4 13.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.782 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.45 179.88 40.55 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.783 HG21 HD12 ' A' ' 26' ' ' LEU . 1.4 p -96.41 118.41 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 0.0 110.373 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.691 ' N ' ' O ' ' A' ' 27' ' ' TYR . 6.9 m -79.85 -169.74 2.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.454 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' HD13 ' A' ' 22' ' ' ILE . 10.4 pt-20 -163.3 113.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.351 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.575 ' O ' ' OG ' ' A' ' 23' ' ' SER . 5.4 mm -127.7 134.83 64.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.575 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.6 p 55.88 22.94 6.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.481 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.14 -21.53 33.95 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -79.4 151.18 31.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.869 0.366 . . . . 0.0 110.575 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.783 HD12 HG21 ' A' ' 19' ' ' VAL . 3.3 mm? -76.07 139.81 41.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.691 ' O ' ' N ' ' A' ' 20' ' ' CYS . 11.3 m-85 -130.99 152.61 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.579 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -100.52 134.23 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.478 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.785 HD23 ' OG ' ' A' ' 17' ' ' SER . 37.7 tp -102.29 111.8 24.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.762 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.704 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 30.9 p -116.55 144.06 44.83 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.503 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' SER . 40.0 m -121.38 131.57 54.26 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.465 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 2' ' ' THR . 15.0 ptt180 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.611 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.6 m -120.88 109.66 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.555 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.7 m -87.42 135.89 33.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.681 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.4 p90 -162.08 152.38 17.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.511 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.8 m -92.69 144.04 25.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.396 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.677 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 7.6 ptm180 -136.78 157.53 46.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.887 HG23 ' O ' ' A' ' 7' ' ' THR . 6.7 t -86.17 63.59 8.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.694 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.489 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 145.88 -172.9 26.41 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.648 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 66.0 ttp85 -69.04 154.66 41.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.833 0.349 . . . . 0.0 110.523 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.677 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.9 m -104.67 -167.08 1.31 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.575 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.684 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.69 156.81 24.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.664 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -59.96 -43.0 95.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.685 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 13' ' ' ARG . 37.3 mmt180 -57.9 -30.72 66.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.332 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.684 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 3.0 mt-10 -69.32 172.6 6.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.43 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.521 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.8 p -132.55 128.83 38.1 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.779 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -80.47 125.02 29.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.733 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.858 ' OG ' HD23 ' A' ' 29' ' ' LEU . 59.7 p -102.7 -45.58 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.47 -179.87 42.8 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.637 HG21 HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.75 116.34 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 110.476 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 27' ' ' TYR . 56.1 m -75.84 -167.43 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.265 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' O ' HD13 ' A' ' 22' ' ' ILE . 80.2 tt0 -157.95 106.95 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.342 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.573 ' O ' ' OG ' ' A' ' 23' ' ' SER . 7.2 mm -124.37 131.62 72.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.797 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.573 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 4.1 p 55.11 32.76 18.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.694 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.12 -12.47 24.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 7.7 tpp85 -90.42 142.14 28.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.801 0.334 . . . . 0.0 110.411 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 19' ' ' VAL . 79.7 mt -71.31 133.37 45.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.946 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.673 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.4 m-85 -120.78 149.89 41.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.628 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -94.93 135.52 36.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.341 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.858 HD23 ' OG ' ' A' ' 17' ' ' SER . 44.9 tp -104.07 110.79 23.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 22.9 p -117.56 141.85 47.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.586 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' SER . 35.3 m -118.9 139.85 50.96 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.271 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.658 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 7.7 ptm180 . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.703 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' HB1' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 32' ' ' ARG . 86.9 m -118.54 110.28 17.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.188 0.518 . . . . 0.0 110.51 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.8 m -86.84 135.59 33.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.817 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.539 ' O ' HD12 ' A' ' 29' ' ' LEU . 43.9 p90 -165.25 154.59 12.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.802 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.494 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.5 m -90.85 147.42 23.18 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.577 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -138.55 156.47 47.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.759 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 7' ' ' THR . 10.2 t -82.67 71.17 9.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.608 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.584 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.57 -178.37 18.32 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.411 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 59.6 ttp180 -63.04 156.7 24.01 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.476 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.5 m -104.5 -170.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.374 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.502 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.01 163.79 20.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.695 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 m -61.14 -42.82 99.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.606 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -58.31 -29.31 65.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.303 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.704 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -73.02 165.56 24.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.365 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 3.3 p -130.43 126.06 36.03 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.187 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -75.41 129.84 37.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.01 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.669 ' OG ' HD23 ' A' ' 29' ' ' LEU . 77.1 p -113.14 -21.4 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.43 -179.85 40.17 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.634 HG21 HD23 ' A' ' 26' ' ' LEU . 3.8 p -96.92 115.25 35.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.94 0.4 . . . . 0.0 110.205 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.687 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.3 m -73.82 175.52 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.511 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -142.31 108.04 5.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.195 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.909 HD12 ' CD2' ' A' ' 27' ' ' TYR . 57.1 mt -127.25 133.49 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.569 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.4 p 55.74 24.53 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.931 0.396 . . . . 0.0 110.799 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.07 -19.54 41.86 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -86.99 142.63 27.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.841 0.353 . . . . 0.0 110.805 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.634 HD23 HG21 ' A' ' 19' ' ' VAL . 11.2 mp -75.93 132.03 40.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.439 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.909 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.4 m-85 -115.05 163.78 15.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.464 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -98.21 128.84 44.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.669 HD23 ' OG ' ' A' ' 17' ' ' SER . 39.6 tp -99.26 102.91 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.443 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.704 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.8 p -113.27 146.86 38.66 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.211 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' SER . 44.8 m -122.02 143.5 49.46 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.192 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.604 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 11.2 ptm180 . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.808 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 48.2 m -115.52 109.49 17.89 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.0 m -87.84 137.07 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.79 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.651 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.4 p90 -164.14 153.1 13.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m -89.91 143.72 26.54 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.661 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.645 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.5 ptm180 -139.58 154.74 47.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.47 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.527 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -82.4 65.31 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.003 0.43 . . . . 0.0 110.554 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.573 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 142.43 -170.36 25.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.627 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 47.5 mtt-85 -73.67 157.38 36.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.965 0.412 . . . . 0.0 110.805 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.645 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 6.4 m -104.83 -164.13 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.756 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.54 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.94 162.44 20.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.73 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.3 m -60.56 -42.98 97.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -58.18 -30.02 66.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.671 ' OE2' ' NH1' ' A' ' 32' ' ' ARG . 2.0 mt-10 -72.46 169.91 15.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.608 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 31' ' ' CYS . 3.2 p -136.03 131.42 34.94 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -78.74 125.33 29.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.924 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.774 ' OG ' HD23 ' A' ' 29' ' ' LEU . 58.5 p -104.98 -23.05 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.017 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.63 -179.82 40.82 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.659 ' O ' HG13 ' A' ' 19' ' ' VAL . 3.4 p -96.36 116.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.686 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.3 m -73.87 174.52 8.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.566 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.0 mp0 -143.63 105.48 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.914 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.481 HD12 ' CD2' ' A' ' 27' ' ' TYR . 74.3 mt -127.38 135.72 62.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 p 59.43 23.41 11.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.699 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.9 4.62 90.24 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -108.65 152.92 24.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 110.694 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 2.5 mm? -78.25 131.79 37.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.697 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.686 ' O ' ' N ' ' A' ' 20' ' ' CYS . 9.1 m-85 -121.45 160.44 24.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.618 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 7.0 mpt_? -100.75 129.27 46.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.268 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.774 HD23 ' OG ' ' A' ' 17' ' ' SER . 40.4 tp -102.19 107.8 18.99 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.624 ' SG ' ' CZ ' ' A' ' 4' ' ' TYR . 25.6 p -112.63 146.64 38.27 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.541 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' SER . 39.6 m -123.36 136.61 54.74 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.147 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.671 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 8.9 ptm180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' ARG . 33.7 m -123.12 109.33 13.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.191 0.519 . . . . 0.0 110.838 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.2 m -85.12 135.61 33.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.681 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.658 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.3 p90 -163.96 156.21 17.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.54 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.59 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.6 m -92.85 146.75 23.4 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.683 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.649 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 8.2 ptm180 -141.6 157.78 44.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.907 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.561 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -85.08 66.76 9.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.524 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.454 ' C ' HH11 ' A' ' 28' ' ' ARG . . . 140.9 -169.49 24.9 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.649 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 60.0 mtm-85 -72.15 157.53 37.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.812 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.644 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 1.7 m -105.14 -166.5 1.23 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.447 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.83 163.61 20.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.725 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 84.1 m -61.63 -43.5 98.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.648 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 -57.6 -28.79 63.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.694 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.9 mt-10 -74.08 171.25 13.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.675 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.3 p -140.49 131.77 26.64 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -75.91 126.43 30.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.151 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.761 ' OG ' HD23 ' A' ' 29' ' ' LEU . 61.8 p -108.54 -21.22 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.13 -179.86 40.55 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -97.24 119.2 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 0.0 110.255 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.687 ' N ' ' O ' ' A' ' 27' ' ' TYR . 5.4 m -78.67 178.28 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.457 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -146.12 108.15 4.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.992 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.819 HD12 ' CD2' ' A' ' 27' ' ' TYR . 47.8 mt -130.69 135.1 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.755 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p 58.08 26.88 14.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.01 -6.97 60.93 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -98.12 142.82 29.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 110.616 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.5 pp -72.38 128.77 36.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.738 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.819 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.9 m-85 -114.75 161.65 17.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.232 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.474 HH11 ' N ' ' A' ' 9' ' ' ARG . 68.8 mtt180 -101.5 133.6 45.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.761 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.8 tp -101.98 108.57 20.06 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.727 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.694 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.6 p -112.06 148.21 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.2 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 15' ' ' SER . 54.6 m -125.13 133.46 52.83 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.311 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.637 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 8.3 ptm180 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.958 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.3 m -123.0 109.87 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.041 0.448 . . . . 0.0 110.574 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.7 m -85.75 135.46 33.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.758 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.594 ' O ' HD12 ' A' ' 29' ' ' LEU . 50.1 p90 -163.28 153.86 16.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.463 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.558 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.7 m -90.71 141.48 28.75 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.74 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.791 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 1.9 ptp180 -137.8 152.63 49.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.696 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.459 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.1 OUTLIER -81.7 77.32 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 179.357 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.42 -173.07 20.95 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.688 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 21.3 mtm180 -70.98 156.42 39.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.395 . . . . 0.0 110.789 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.791 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.1 m -104.66 -167.52 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.626 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.611 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.7 160.02 25.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.545 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.7 m -60.4 -42.7 96.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -58.51 -31.03 67.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.369 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.685 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -70.56 166.85 19.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.68 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' CYS . 5.9 p -135.06 132.62 38.43 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.24 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -77.28 128.05 33.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.912 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.688 ' OG ' HD23 ' A' ' 29' ' ' LEU . 67.7 p -109.16 -22.02 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.15 -179.92 41.52 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.626 ' CG2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.7 124.87 49.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.181 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.638 ' N ' ' O ' ' A' ' 27' ' ' TYR . 7.4 m -87.53 176.48 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.487 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -142.84 109.77 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.306 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.922 HD12 ' CD2' ' A' ' 27' ' ' TYR . 64.7 mt -132.05 135.11 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.663 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 p 58.45 26.56 14.35 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.762 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 -10.37 55.63 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 25' ' ' ARG . 42.4 ttm180 -96.59 147.58 23.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.855 0.359 . . . . 0.0 110.594 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.626 HD22 ' CG2' ' A' ' 19' ' ' VAL . 78.4 mt -75.16 132.23 41.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.922 ' CD2' HD12 ' A' ' 22' ' ' ILE . 5.9 m-85 -115.44 163.4 15.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.464 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 2.5 mpt_? -103.47 132.36 49.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.186 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.688 HD23 ' OG ' ' A' ' 17' ' ' SER . 38.5 tp -100.76 102.63 13.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.304 . . . . 0.0 110.768 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.685 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.4 p -107.55 144.13 35.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.54 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 15' ' ' SER . 40.1 m -119.82 132.57 55.63 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.281 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 8.7 ptt180 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.566 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.3 m -123.17 110.99 15.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.558 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.8 m -86.06 135.65 33.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.935 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.604 ' O ' HD12 ' A' ' 29' ' ' LEU . 48.7 p90 -163.86 150.77 11.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.6 m -90.66 147.14 23.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.673 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 8.4 ptm180 -141.12 158.0 44.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.744 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.906 HG23 ' O ' ' A' ' 7' ' ' THR . 7.1 t -84.28 70.56 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.591 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 136.97 -178.2 19.12 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.641 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 51.2 ttt85 -64.22 159.34 20.94 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.816 0.341 . . . . 0.0 110.526 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.673 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.9 m -108.75 -165.63 1.04 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.488 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.25 160.01 21.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.631 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.7 m -60.79 -42.37 97.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.471 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -57.72 -31.24 66.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.179 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -70.45 172.53 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' CYS . 5.1 p -138.3 131.38 30.02 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -77.18 129.34 35.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.071 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.814 ' OG ' HD23 ' A' ' 29' ' ' LEU . 83.9 p -109.97 -28.93 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.799 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.74 -179.99 43.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.608 ' CG2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.58 117.37 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.452 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 43.0 m -77.59 -163.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.15 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' ' 22' ' ' ILE . 44.0 tt0 -163.34 107.84 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.098 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.575 ' O ' ' OG ' ' A' ' 23' ' ' SER . 7.1 mm -124.49 135.44 63.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.575 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER 57.22 25.16 10.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.55 -15.49 54.33 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.441 ' NH2' ' OG1' ' A' ' 7' ' ' THR . 60.8 ttp180 -88.36 153.46 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.637 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.608 HD22 ' CG2' ' A' ' 19' ' ' VAL . 76.2 mt -79.64 131.35 35.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.3 m-85 -117.95 153.69 33.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -96.44 135.35 38.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.277 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.814 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.0 tp -103.51 110.04 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.777 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 25.9 p -115.45 144.38 43.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.519 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' SER . 36.2 m -121.98 137.84 54.65 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.265 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.554 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 23.3 ptt180 . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.705 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 32' ' ' ARG . 25.6 m -122.84 107.56 12.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.515 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.7 m -87.85 135.67 33.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.696 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.673 ' O ' HD12 ' A' ' 29' ' ' LEU . 55.0 p90 -160.37 153.84 22.21 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.553 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.9 m -89.99 142.39 27.75 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.722 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.793 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -137.22 156.61 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.631 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 7' ' ' THR . 5.0 t -83.63 66.78 9.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.556 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.553 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 138.93 -170.73 23.91 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.632 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 20.4 ttp180 -71.89 156.97 38.68 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 120.847 0.356 . . . . 0.0 110.605 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.793 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.6 m -104.62 -165.46 1.14 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.584 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.525 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.18 162.97 21.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.659 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -60.56 -43.21 97.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -57.73 -29.16 64.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.329 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.674 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.1 mt-10 -73.98 165.4 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 31' ' ' CYS . 5.0 p -132.98 132.79 42.33 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -77.76 131.09 37.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.901 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.79 ' OG ' HD23 ' A' ' 29' ' ' LEU . 87.1 p -111.8 -27.58 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.68 -179.84 44.8 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 p -96.72 117.44 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.361 . . . . 0.0 110.189 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 27' ' ' TYR . 6.5 m -78.45 175.05 10.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.623 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -140.55 107.73 5.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.019 179.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.807 HD12 ' CD2' ' A' ' 27' ' ' TYR . 71.1 mt -132.01 141.28 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.697 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.1 p 53.96 22.99 3.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.609 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.0 -17.19 43.07 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -91.96 145.02 24.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.0 110.583 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.4 pp -71.15 132.09 44.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.807 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.1 m-85 -114.48 161.7 17.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.588 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -101.37 131.78 47.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.272 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.79 HD23 ' OG ' ' A' ' 17' ' ' SER . 47.0 tp -101.3 105.81 16.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.848 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.674 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.8 p -110.43 144.11 39.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.3 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' SER . 31.2 m -119.3 136.63 54.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.521 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 2' ' ' THR . 24.6 ptt85 . . . . . 0 C--O 1.216 -0.665 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.875 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.413 ' HB1' ' N ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.586 ' N ' ' O ' ' A' ' 32' ' ' ARG . 53.5 m -122.12 107.73 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.483 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.6 m -85.21 136.33 33.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.775 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.677 ' O ' HD12 ' A' ' 29' ' ' LEU . 47.9 p90 -163.6 152.95 14.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.484 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.0 m -90.54 140.72 29.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.664 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.0 ptm180 -135.88 157.37 47.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 7' ' ' THR . 2.2 t -87.71 64.07 7.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.441 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.656 ' O ' ' NE ' ' A' ' 6' ' ' ARG . . . 144.77 -172.92 25.51 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.616 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 48.1 ttp180 -69.38 157.56 36.81 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.943 0.402 . . . . 0.0 110.582 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.664 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 8.7 m -107.89 -167.16 1.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.474 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.665 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.2 158.42 26.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.627 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -60.62 -42.05 96.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.376 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -58.6 -30.74 67.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.466 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.665 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.9 mt-10 -70.78 173.63 7.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.418 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 p -136.18 129.47 31.73 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.015 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -79.4 126.53 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.968 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.783 ' OG ' HD23 ' A' ' 29' ' ' LEU . 52.7 p -105.38 -28.34 10.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.93 -179.86 42.01 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.67 HG21 HD23 ' A' ' 26' ' ' LEU . 7.6 p -96.37 117.5 40.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.929 0.395 . . . . 0.0 110.1 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 10.7 m -73.81 -173.84 1.64 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.455 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -152.32 105.24 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.331 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.528 ' O ' ' OG ' ' A' ' 23' ' ' SER . 6.3 mm -122.24 132.84 70.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.711 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.528 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER 54.85 30.69 14.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.718 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.32 -14.35 40.52 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 78.7 ttt180 -87.59 155.93 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.693 0.282 . . . . 0.0 110.454 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.67 HD23 HG21 ' A' ' 19' ' ' VAL . 8.7 mp -86.81 130.37 34.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 20' ' ' CYS . 8.3 m-85 -116.97 156.38 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.552 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.572 ' HG3' HD11 ' A' ' 16' ' ' LEU . 2.6 tpt180 -96.0 132.51 41.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.113 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.783 HD23 ' OG ' ' A' ' 17' ' ' SER . 30.8 tp -105.01 113.53 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 16.3 p -120.72 144.07 48.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.466 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.473 ' N ' ' O ' ' A' ' 15' ' ' SER . 53.3 m -118.97 137.81 53.24 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.304 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.586 ' O ' ' N ' ' A' ' 2' ' ' THR . 28.6 ptt180 . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.669 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.476 ' HB1' ' N ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.7 m -120.8 111.31 17.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -86.16 135.62 33.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.745 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.641 ' O ' HD12 ' A' ' 29' ' ' LEU . 48.0 p90 -162.13 154.2 19.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.501 ' HB2' HD11 ' A' ' 22' ' ' ILE . 5.5 m -91.13 142.44 27.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.35 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.673 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.6 ptm180 -137.72 157.3 46.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.633 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 7' ' ' THR . 7.1 t -87.4 66.44 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.628 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.459 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 143.51 -170.0 25.74 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.581 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 50.0 ttp180 -72.31 155.66 39.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.898 0.38 . . . . 0.0 110.583 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.673 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 8.8 m -105.3 -166.45 1.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.535 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.672 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.67 159.43 23.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.544 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -61.28 -42.58 98.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.512 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -58.59 -29.42 66.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.402 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.672 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.8 mt-10 -72.64 169.87 15.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.514 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 6.0 p -134.98 132.88 38.88 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -79.19 125.92 30.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.82 -179.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.788 ' OG ' HD23 ' A' ' 29' ' ' LEU . 77.3 p -105.35 -21.34 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.77 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.95 -179.83 39.92 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.1 p -96.41 117.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.003 0.43 . . . . 0.0 110.173 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.7 ' N ' ' O ' ' A' ' 27' ' ' TYR . 5.2 m -76.85 177.31 7.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.458 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -143.48 107.5 4.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.2 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.735 HD12 ' CD2' ' A' ' 27' ' ' TYR . 75.4 mt -132.08 132.55 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.463 ' C ' ' H ' ' A' ' 25' ' ' ARG . 4.9 p 56.8 41.87 27.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.761 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.11 -5.19 2.86 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' H ' ' C ' ' A' ' 23' ' ' SER . 67.8 ttt180 -101.84 139.73 37.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.79 135.96 48.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.699 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.735 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.2 m-85 -119.84 162.68 18.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -102.13 131.39 48.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.228 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.788 HD23 ' OG ' ' A' ' 17' ' ' SER . 39.7 tp -101.66 104.17 14.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.731 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.669 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 19.7 p -110.52 142.92 41.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' SER . 39.5 m -118.62 135.88 54.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.371 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.476 ' N ' ' HB1' ' A' ' 1' ' ' ALA . 21.3 ptt85 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.713 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 32' ' ' ARG . 54.3 m -122.45 108.35 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.9 m -86.82 135.7 33.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.524 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.643 ' O ' HD12 ' A' ' 29' ' ' LEU . 43.8 p90 -162.54 152.85 16.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.563 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.556 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.5 m -90.08 142.04 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.644 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.798 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -136.73 152.67 50.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.596 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.408 ' H ' HG22 ' A' ' 7' ' ' THR . 2.8 t -83.95 60.34 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.551 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.494 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 151.69 -166.62 30.84 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.681 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 47.8 mtt85 -75.53 158.74 32.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.963 0.411 . . . . 0.0 110.879 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.798 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.0 m -109.12 -169.93 1.57 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.689 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.619 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.4 160.77 25.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.425 . . . . 0.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.7 m -61.43 -41.92 97.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -58.95 -30.41 67.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.403 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.684 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.5 mt-10 -71.15 169.47 15.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.581 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.556 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.0 p -138.22 134.23 34.2 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -78.4 126.96 31.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.767 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.737 ' OG ' HD23 ' A' ' 29' ' ' LEU . 80.8 p -106.47 -19.97 13.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.22 -179.68 40.15 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.487 HG21 HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -96.33 117.63 41.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 110.213 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.672 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.2 m -78.7 174.58 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.535 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.1 mp0 -141.77 108.02 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.039 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.898 HD12 ' CD2' ' A' ' 27' ' ' TYR . 68.4 mt -130.39 135.98 59.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 p 57.54 25.78 11.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.847 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.52 1.28 86.22 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.4 ttm-85 -106.67 146.55 30.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.762 0.315 . . . . 0.0 110.525 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.487 HD22 HG21 ' A' ' 19' ' ' VAL . 97.3 mt -70.71 132.0 44.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.807 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.898 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.4 m-85 -119.83 160.54 22.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.489 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -102.34 131.65 48.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.375 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.737 HD23 ' OG ' ' A' ' 17' ' ' SER . 39.7 tp -102.63 101.7 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 25.6 p -105.48 144.52 32.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.421 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.556 ' N ' ' O ' ' A' ' 15' ' ' SER . 36.9 m -120.91 132.67 55.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.276 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 2' ' ' THR . 22.6 ptt85 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.583 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 52.4 m -121.98 109.14 14.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.599 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -87.3 135.99 33.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.57 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.586 ' O ' HD12 ' A' ' 29' ' ' LEU . 50.1 p90 -161.92 153.49 18.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.353 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.3 m -90.31 146.56 24.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 1.5 ptp180 -141.41 156.46 45.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.516 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 25.6 m -83.27 59.54 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 148.77 -164.7 29.16 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.697 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 29.6 mtm180 -79.0 157.99 28.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.8 m -104.51 -166.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.44 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.536 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -82.83 162.78 21.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.599 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -60.59 -43.23 97.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.468 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.409 ' HD3' HH11 ' A' ' 13' ' ' ARG . 26.1 mmt180 -57.75 -30.61 65.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.339 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -71.33 164.56 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.71 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.564 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.2 p -130.69 133.03 45.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -79.01 126.0 30.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.735 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.757 ' OG ' HD23 ' A' ' 29' ' ' LEU . 54.0 p -106.33 -23.21 12.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.699 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.05 -179.96 42.01 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.714 HG21 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.37 117.52 40.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.878 0.37 . . . . 0.0 110.314 -179.745 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.685 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.9 m -78.67 177.64 8.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.579 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' HD13 ' A' ' 22' ' ' ILE . 97.4 mt-10 -148.64 112.42 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.558 ' O ' ' OG ' ' A' ' 23' ' ' SER . 5.5 mm -128.57 133.44 66.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.558 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 2.9 p 54.89 29.76 12.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.444 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.74 -16.87 23.93 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 59.1 ttt-85 -83.0 154.55 24.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.81 0.338 . . . . 0.0 110.5 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 19' ' ' VAL . 3.8 mm? -81.11 131.11 35.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.685 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.7 m-85 -120.34 155.24 33.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.608 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 8.2 mpt_? -100.45 134.9 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.46 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.757 HD23 ' OG ' ' A' ' 17' ' ' SER . 40.9 tp -104.08 105.2 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.6 p -110.7 146.89 35.47 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.372 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' A' ' 15' ' ' SER . 35.4 m -122.94 141.23 52.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.562 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.574 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 27.5 ptt180 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.736 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' ARG . 58.8 m -123.28 111.12 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.674 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HB3' HD11 ' A' ' 29' ' ' LEU . 72.1 m -87.45 135.67 33.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.692 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.5 p90 -161.35 154.65 21.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.512 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.572 ' HB2' HD11 ' A' ' 22' ' ' ILE . 4.3 m -91.0 141.66 28.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.464 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.797 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -139.67 155.11 47.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.627 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.7 m -80.03 72.9 6.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.471 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.422 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 132.24 -174.38 20.33 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -70.27 160.47 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.767 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.797 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.6 m -105.42 -163.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.656 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -85.39 164.99 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -61.0 -42.71 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -57.72 -29.07 64.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.118 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.676 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.8 mt-10 -75.48 170.37 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.5 p -137.49 132.55 33.46 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.902 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -78.48 124.96 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.73 0.644 . . . . 0.0 110.868 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.777 ' OG ' HD23 ' A' ' 29' ' ' LEU . 54.8 p -106.23 -22.63 12.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.15 -179.79 40.6 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.754 HG21 HD23 ' A' ' 26' ' ' LEU . 7.2 p -96.49 117.13 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.954 0.407 . . . . 0.0 110.156 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.699 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.7 m -74.87 175.5 7.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -141.5 107.08 5.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.966 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.8 HD12 ' CD2' ' A' ' 27' ' ' TYR . 70.1 mt -129.97 136.48 58.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 25' ' ' ARG . 1.2 p 51.29 38.18 20.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.731 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.56 -14.17 3.48 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 23' ' ' SER . 57.4 ttp180 -93.13 139.46 30.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.951 0.405 . . . . 0.0 110.654 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.754 HD23 HG21 ' A' ' 19' ' ' VAL . 8.0 mp -71.35 137.16 48.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.801 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.8 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.5 m-85 -120.58 161.27 21.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.572 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.507 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 6.7 mpt_? -99.3 129.43 45.52 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.777 HD23 ' OG ' ' A' ' 17' ' ' SER . 44.5 tp -100.18 107.48 19.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.098 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.676 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.3 p -112.64 146.87 37.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.401 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 15' ' ' SER . 44.0 m -122.67 138.52 54.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.484 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 2' ' ' THR . 28.0 ptt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.822 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' ARG . 94.2 m -120.28 109.79 15.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.462 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.2 m -86.35 135.62 33.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.658 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.0 p90 -165.05 153.15 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.1 m -90.79 145.75 24.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.79 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 4.3 ptp180 -143.54 154.85 44.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.465 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -80.84 75.33 7.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.464 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.424 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 131.94 176.75 14.54 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.437 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 56.5 ttp180 -62.62 157.87 19.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.732 0.301 . . . . 0.0 110.386 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.79 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 11.8 m -104.47 -166.06 1.2 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.558 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -82.51 163.35 21.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.687 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.4 m -60.37 -42.8 96.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 mmt-85 -58.23 -29.7 65.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.367 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.671 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -74.88 163.26 27.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.531 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.578 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.2 p -131.63 134.44 45.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.756 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.714 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -77.52 123.84 27.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.735 ' OG ' HD23 ' A' ' 29' ' ' LEU . 38.9 p -103.89 -28.46 11.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.752 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.6 -179.75 46.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 p -96.58 117.98 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.399 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.709 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.3 m -81.02 -175.67 5.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.447 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.768 ' O ' HD13 ' A' ' 22' ' ' ILE . 7.8 pt-20 -153.09 113.91 4.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.464 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.768 HD13 ' O ' ' A' ' 21' ' ' GLU . 7.0 mm -131.34 139.9 49.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.617 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.5 p 52.3 23.1 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.66 -24.27 18.33 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -80.89 141.33 34.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.312 . . . . 0.0 110.722 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.853 HD12 ' C ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -67.93 134.06 50.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.026 0.441 . . . . 0.0 110.673 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.709 ' O ' ' N ' ' A' ' 20' ' ' CYS . 5.1 m-85 -118.06 159.39 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.737 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -102.9 132.03 49.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.204 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.735 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.4 tp -101.14 108.44 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.671 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 24.6 p -111.45 146.81 36.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.441 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.578 ' N ' ' O ' ' A' ' 15' ' ' SER . 36.9 m -122.95 134.14 54.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.345 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 2' ' ' THR . 6.0 ptm180 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.686 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.491 ' HB1' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' ARG . 45.2 m -118.43 108.53 15.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.396 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.9 m -87.44 135.91 33.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.834 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.665 ' OH ' ' NH1' ' A' ' 32' ' ' ARG . 55.6 p90 -164.85 154.76 13.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.451 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.524 ' HB2' HD11 ' A' ' 22' ' ' ILE . 5.2 m -90.86 143.08 27.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.371 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.688 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.2 ptm180 -137.12 157.92 45.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.591 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 28.8 m -85.55 73.08 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.403 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.455 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.18 -172.84 21.31 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.76 HH12 HD23 ' A' ' 16' ' ' LEU . 19.9 tpt85 -69.19 155.93 39.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.825 0.345 . . . . 0.0 110.343 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.688 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 6.8 m -104.56 -167.26 1.33 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.376 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.649 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.38 160.78 25.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -61.35 -42.77 99.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.745 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -58.38 -29.51 66.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.373 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.7 mt-10 -72.95 167.8 20.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.1 p -132.68 130.7 40.45 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.993 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.76 HD23 HH12 ' A' ' 9' ' ' ARG . 0.2 OUTLIER -77.92 111.93 14.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.834 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.783 ' OG ' HD23 ' A' ' 29' ' ' LEU . 36.7 p -91.34 -22.45 20.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.935 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.35 -179.67 41.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 26' ' ' LEU . 8.3 p -96.44 126.13 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.261 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.671 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.3 m -91.16 168.95 11.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.448 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -142.37 112.3 6.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.99 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.949 HD12 ' CD2' ' A' ' 27' ' ' TYR . 54.8 mt -128.51 135.7 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.682 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER 54.01 36.52 24.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.952 0.406 . . . . 0.0 110.663 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.65 -11.48 7.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 55.8 ttt85 -87.02 158.19 19.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.836 0.351 . . . . 0.0 110.569 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.551 HD21 HG21 ' A' ' 19' ' ' VAL . 15.9 tp -88.2 125.58 34.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.47 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.949 ' CD2' HD12 ' A' ' 22' ' ' ILE . 7.9 m-85 -116.38 159.54 21.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.546 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.516 ' NH1' ' CD ' ' A' ' 9' ' ' ARG . 99.5 mtt180 -107.45 135.74 48.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.492 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.783 HD23 ' OG ' ' A' ' 17' ' ' SER . 46.4 tp -101.35 108.03 19.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.59 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 20.6 p -112.96 146.15 39.52 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.284 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' SER . 48.0 m -123.19 139.2 54.3 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.362 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.665 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 27.3 ptt180 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.989 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.5 m -123.07 112.1 17.35 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.542 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -86.43 135.66 33.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.762 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.645 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.1 p90 -161.46 155.25 21.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.627 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.522 ' HB2' HD11 ' A' ' 22' ' ' ILE . 4.6 m -90.75 142.52 27.67 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.707 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 4.8 ptm180 -136.16 157.97 45.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.766 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 7' ' ' THR . 8.3 t -85.83 74.43 10.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.661 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.465 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 132.02 -163.11 23.92 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.578 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -76.67 158.36 31.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.29 0.567 . . . . 0.0 110.592 179.493 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.707 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 15.4 m -106.1 -163.13 0.91 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.42 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.648 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -87.92 159.96 18.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.7 m -60.92 -42.59 98.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -57.89 -30.13 65.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.389 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.678 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.9 mt-10 -72.05 174.8 6.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.627 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.5 p -137.68 128.63 27.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -78.79 126.71 31.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.663 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.769 ' OG ' HD23 ' A' ' 29' ' ' LEU . 68.4 p -107.36 -21.31 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.04 -179.73 40.02 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.674 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.8 p -96.47 117.68 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.04 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.688 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.4 m -75.69 173.48 11.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.58 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -139.24 106.56 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.14 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.812 HD12 ' CD2' ' A' ' 27' ' ' TYR . 69.7 mt -129.23 135.34 62.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.484 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.3 p 53.48 37.23 25.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.781 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.6 -1.61 27.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -103.7 148.39 26.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.475 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 2.7 mm? -76.85 134.31 39.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.799 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.812 ' CD2' HD12 ' A' ' 22' ' ' ILE . 7.2 m-85 -120.95 161.89 20.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.573 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -101.66 131.67 47.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.116 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.769 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.1 tp -102.86 103.69 13.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.754 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.678 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 15.4 p -111.0 143.61 41.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.474 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' SER . 34.9 m -118.06 139.29 51.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.328 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 32' ' ' ARG . 10.6 ptt180 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.883 -1.056 . . . . 0.0 110.631 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 32' ' ' ARG . 99.5 m -122.18 110.49 15.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.557 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.3 m -85.83 135.54 33.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.705 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.655 ' O ' HD12 ' A' ' 29' ' ' LEU . 44.2 p90 -164.85 153.69 12.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.618 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.554 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.9 m -90.04 142.17 27.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.592 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.6 OUTLIER -136.59 155.85 49.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.685 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 7' ' ' THR . 29.1 m -81.33 71.55 8.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.573 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.09 -176.99 19.26 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -66.34 156.9 33.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.796 0.331 . . . . 0.0 110.431 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 6.4 m -104.51 -169.41 1.62 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -79.6 161.58 25.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.7 m -59.65 -42.53 93.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.421 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 13' ' ' ARG . 80.3 mmt-85 -58.16 -30.57 66.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.289 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.647 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.1 mt-10 -71.96 162.9 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.724 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.593 ' O ' ' N ' ' A' ' 31' ' ' CYS . 3.9 p -130.01 133.14 46.56 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -79.85 126.15 30.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.034 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.77 ' OG ' HD23 ' A' ' 29' ' ' LEU . 45.3 p -106.44 -21.7 13.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.62 -179.65 41.96 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.669 HG23 HD21 ' A' ' 26' ' ' LEU . 12.2 p -96.51 126.24 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.228 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.674 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.8 m -92.38 172.12 8.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.719 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -145.49 111.99 5.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.054 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.825 HD12 ' CD2' ' A' ' 27' ' ' TYR . 59.0 mt -132.56 140.9 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.774 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 p 58.49 24.42 11.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.551 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.68 1.7 87.16 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 57.2 ttp180 -105.39 158.81 16.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.791 0.329 . . . . 0.0 110.756 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.7 ' C ' HD23 ' A' ' 26' ' ' LEU . 8.3 tt -79.05 130.48 35.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.825 ' CD2' HD12 ' A' ' 22' ' ' ILE . 7.8 m-85 -121.61 156.9 31.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.589 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -105.2 135.02 47.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.195 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.77 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.8 tp -102.04 103.54 14.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.647 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.9 p -109.24 145.84 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.461 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.593 ' N ' ' O ' ' A' ' 15' ' ' SER . 37.2 m -120.67 139.3 53.21 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.255 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.558 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 29.9 ptt180 . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.647 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.444 ' HB1' ' N ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.8 m -116.71 110.72 18.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.932 0.396 . . . . 0.0 110.533 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.5 m -86.68 135.79 33.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.699 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.655 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.4 p90 -162.56 157.17 21.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.489 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.556 ' HB2' HD11 ' A' ' 22' ' ' ILE . 4.2 m -92.58 141.95 27.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.657 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 6.7 ptm180 -137.15 157.22 47.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 7' ' ' THR . 86.2 m -83.26 64.95 8.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.616 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 140.71 -170.04 24.64 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.657 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 44.2 mtt180 -74.27 158.67 33.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.632 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.4 m -104.65 -164.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.638 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.419 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -86.57 163.77 17.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.595 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -59.49 -42.19 91.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -57.27 -30.35 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.391 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.684 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -74.66 167.6 21.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.507 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.569 ' O ' ' N ' ' A' ' 31' ' ' CYS . 2.5 p -134.33 130.98 37.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -78.15 127.95 33.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.74 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.783 ' OG ' HD23 ' A' ' 29' ' ' LEU . 67.7 p -108.58 -23.92 11.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.763 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.8 -179.95 42.44 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 19' ' ' VAL . 12.3 p -96.24 117.29 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.971 0.415 . . . . 0.0 110.246 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.8 m -77.2 173.75 11.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.658 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -141.96 108.47 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.115 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.899 HD12 ' CD2' ' A' ' 27' ' ' TYR . 75.5 mt -128.7 135.29 62.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.811 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER 54.92 26.41 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.654 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.42 -12.15 52.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -91.37 147.17 23.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.484 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.519 HD22 HG21 ' A' ' 19' ' ' VAL . 43.0 mt -74.55 133.99 42.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.899 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.4 m-85 -121.2 159.73 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.701 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.6 mmt-85 -100.91 131.81 46.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.245 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.783 HD23 ' OG ' ' A' ' 17' ' ' SER . 48.2 tp -101.83 101.66 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.68 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.6 p -108.13 145.72 33.71 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.407 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' A' ' 15' ' ' SER . 35.6 m -120.78 133.32 55.33 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.301 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.581 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 23.9 ptt180 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.721 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 18.7 m -120.84 111.21 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.717 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -88.08 135.69 33.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.592 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.609 ' O ' HD12 ' A' ' 29' ' ' LEU . 48.4 p90 -160.13 151.01 18.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.518 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.532 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.3 m -90.46 142.82 27.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.553 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.823 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 3.3 ptp180 -138.81 152.35 47.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.453 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.438 ' CB ' HH22 ' A' ' 25' ' ' ARG . 2.8 t -79.28 63.47 3.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.708 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.21 -171.51 27.86 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -73.65 159.06 33.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.747 0.308 . . . . 0.0 110.73 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.823 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 3.9 m -106.11 -167.75 1.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.556 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.53 162.13 23.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.656 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -60.23 -43.4 96.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.52 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -58.1 -29.32 65.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.458 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.678 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -72.13 166.9 21.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.54 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.3 p -134.01 134.1 42.06 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -79.5 125.59 29.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.588 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.75 ' OG ' HD23 ' A' ' 29' ' ' LEU . 62.1 p -104.52 -24.57 13.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.709 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.55 -179.6 41.41 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 19' ' ' VAL . 12.3 p -96.61 120.46 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.152 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 4.9 m -81.35 178.13 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.697 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.484 ' HG3' HD23 ' A' ' 26' ' ' LEU . 56.7 mp0 -142.27 106.02 4.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.317 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.856 HD12 ' CD2' ' A' ' 27' ' ' TYR . 68.8 mt -129.73 138.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.791 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 p 58.32 25.31 12.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.698 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.17 5.57 89.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.807 ' NH2' ' CZ ' ' A' ' 27' ' ' TYR . 69.4 ttp85 -113.03 153.12 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.472 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.485 HD22 ' CG2' ' A' ' 19' ' ' VAL . 43.8 mt -75.78 132.02 40.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.856 ' CD2' HD12 ' A' ' 22' ' ' ILE . 5.7 m-85 -117.93 161.16 20.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.64 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -100.41 129.58 46.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.177 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.75 HD23 ' OG ' ' A' ' 17' ' ' SER . 41.5 tp -101.69 105.26 16.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.678 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 28.0 p -109.41 145.35 36.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' A' ' 15' ' ' SER . 33.1 m -120.85 140.3 51.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.535 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.459 HH11 ' HD2' ' A' ' 32' ' ' ARG . 18.3 ptt85 . . . . . 0 C--O 1.218 -0.572 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.64 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.5 m -122.19 107.02 11.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.551 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.4 m -86.73 135.54 33.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.801 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.564 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.7 p90 -163.49 153.67 15.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.457 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.557 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.9 m -90.06 141.82 28.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.528 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.786 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -137.69 157.62 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.696 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.38 73.29 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.437 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.481 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 134.23 -170.87 22.41 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.613 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 56.0 ttp180 -70.42 156.21 39.66 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.825 0.345 . . . . 0.0 110.47 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.786 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.0 m -104.72 -168.35 1.47 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.441 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.616 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -79.59 160.85 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.1 m -60.52 -43.51 97.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.65 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -58.12 -29.96 65.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.424 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.686 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.5 mt-10 -71.66 166.28 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.675 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.4 p -135.63 133.33 38.1 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -75.91 125.71 29.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.68 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.762 ' OG ' HD23 ' A' ' 29' ' ' LEU . 59.0 p -106.59 -26.8 11.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.775 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.18 -179.74 45.33 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 19' ' ' VAL . 1.4 p -96.52 121.57 47.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.891 0.377 . . . . 0.0 110.245 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.649 ' N ' ' O ' ' A' ' 27' ' ' TYR . 7.5 m -83.32 -178.65 7.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.68 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -150.54 106.76 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.206 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.844 HD12 ' CD2' ' A' ' 27' ' ' TYR . 58.7 mt -130.2 134.3 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 p 61.04 27.09 16.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.71 -0.53 81.58 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -105.87 141.31 37.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 110.747 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.656 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.3 pp -70.19 126.77 30.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.621 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.844 ' CD2' HD12 ' A' ' 22' ' ' ILE . 4.8 m-85 -111.2 164.66 12.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.538 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -103.15 132.71 49.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.111 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.762 HD23 ' OG ' ' A' ' 17' ' ' SER . 43.7 tp -101.84 104.54 15.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.76 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.686 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 24.2 p -109.02 146.16 34.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.408 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' A' ' 15' ' ' SER . 42.3 m -123.18 131.52 53.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.395 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.692 -179.86 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.555 ' N ' ' O ' ' A' ' 32' ' ' ARG . 52.0 m -121.93 111.66 17.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.57 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -85.62 135.74 33.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.655 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.586 ' O ' HD12 ' A' ' 29' ' ' LEU . 42.9 p90 -165.61 149.99 8.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.457 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.2 m -91.49 139.52 30.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.685 ' NH1' ' O ' ' A' ' 9' ' ' ARG . 6.9 ptm180 -138.98 152.31 47.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.35 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -76.7 82.22 3.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.808 179.642 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.675 ' C ' ' NH1' ' A' ' 6' ' ' ARG . . . 131.91 -167.37 22.82 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.685 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 76.1 ttt180 -80.67 158.84 25.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 110.65 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.555 ' SG ' ' HD2' ' A' ' 6' ' ' ARG . 1.8 m -104.53 -164.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.546 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.482 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -84.71 161.6 19.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -59.77 -42.18 92.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.359 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -57.59 -31.36 66.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.311 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.704 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.8 mt-10 -71.03 170.23 13.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.53 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 4.4 p -136.58 134.23 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.764 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -78.81 122.46 26.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.815 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.785 ' OG ' HD23 ' A' ' 29' ' ' LEU . 58.5 p -102.49 -23.4 13.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.782 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.45 179.88 40.55 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.783 HG21 HD12 ' A' ' 26' ' ' LEU . 1.4 p -96.41 118.41 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 0.0 110.373 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.691 ' N ' ' O ' ' A' ' 27' ' ' TYR . 6.9 m -79.85 -169.74 2.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.454 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' HD13 ' A' ' 22' ' ' ILE . 10.4 pt-20 -163.3 113.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.351 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.575 ' O ' ' OG ' ' A' ' 23' ' ' SER . 5.4 mm -127.7 134.83 64.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.575 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.6 p 55.88 22.94 6.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.481 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.14 -21.53 33.95 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -79.4 151.18 31.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.869 0.366 . . . . 0.0 110.575 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.783 HD12 HG21 ' A' ' 19' ' ' VAL . 3.3 mm? -76.07 139.81 41.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.691 ' O ' ' N ' ' A' ' 20' ' ' CYS . 11.3 m-85 -130.99 152.61 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.579 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -100.52 134.23 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.478 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.785 HD23 ' OG ' ' A' ' 17' ' ' SER . 37.7 tp -102.29 111.8 24.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.762 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.704 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 30.9 p -116.55 144.06 44.83 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.503 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' SER . 40.0 m -121.38 131.57 54.26 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.465 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 2' ' ' THR . 15.0 ptt180 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.611 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.6 m -120.88 109.66 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.555 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.7 m -87.42 135.89 33.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.681 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.4 p90 -162.08 152.38 17.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.511 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.8 m -92.69 144.04 25.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.396 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.677 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 7.6 ptm180 -136.78 157.53 46.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.887 HG23 ' O ' ' A' ' 7' ' ' THR . 6.7 t -86.17 63.59 8.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.694 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.489 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 145.88 -172.9 26.41 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.648 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 66.0 ttp85 -69.04 154.66 41.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.833 0.349 . . . . 0.0 110.523 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.677 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.9 m -104.67 -167.08 1.31 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.575 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.684 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.69 156.81 24.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.664 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -59.96 -43.0 95.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.685 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 13' ' ' ARG . 37.3 mmt180 -57.9 -30.72 66.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.332 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.684 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 3.0 mt-10 -69.32 172.6 6.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.43 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.521 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.8 p -132.55 128.83 38.1 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.779 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -80.47 125.02 29.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.733 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.858 ' OG ' HD23 ' A' ' 29' ' ' LEU . 59.7 p -102.7 -45.58 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.47 -179.87 42.8 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.637 HG21 HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.75 116.34 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 110.476 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 27' ' ' TYR . 56.1 m -75.84 -167.43 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.265 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' O ' HD13 ' A' ' 22' ' ' ILE . 80.2 tt0 -157.95 106.95 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.342 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.573 ' O ' ' OG ' ' A' ' 23' ' ' SER . 7.2 mm -124.37 131.62 72.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.797 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.573 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 4.1 p 55.11 32.76 18.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.694 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.12 -12.47 24.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 7.7 tpp85 -90.42 142.14 28.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.801 0.334 . . . . 0.0 110.411 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 19' ' ' VAL . 79.7 mt -71.31 133.37 45.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.946 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.673 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.4 m-85 -120.78 149.89 41.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.628 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -94.93 135.52 36.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.341 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.858 HD23 ' OG ' ' A' ' 17' ' ' SER . 44.9 tp -104.07 110.79 23.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 22.9 p -117.56 141.85 47.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.586 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' SER . 35.3 m -118.9 139.85 50.96 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.271 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.658 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 7.7 ptm180 . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.703 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . 0.457 ' HB1' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 32' ' ' ARG . 86.9 m -118.54 110.28 17.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.188 0.518 . . . . 0.0 110.51 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.8 m -86.84 135.59 33.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.817 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.539 ' O ' HD12 ' A' ' 29' ' ' LEU . 43.9 p90 -165.25 154.59 12.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.802 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.494 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.5 m -90.85 147.42 23.18 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.577 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -138.55 156.47 47.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.759 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 7' ' ' THR . 10.2 t -82.67 71.17 9.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.608 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.584 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.57 -178.37 18.32 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.411 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 59.6 ttp180 -63.04 156.7 24.01 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.476 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.5 m -104.5 -170.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.374 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.502 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.01 163.79 20.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.695 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 m -61.14 -42.82 99.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.606 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -58.31 -29.31 65.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.303 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.704 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -73.02 165.56 24.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.365 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 3.3 p -130.43 126.06 36.03 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.187 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -75.41 129.84 37.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.01 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.669 ' OG ' HD23 ' A' ' 29' ' ' LEU . 77.1 p -113.14 -21.4 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.43 -179.85 40.17 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.634 HG21 HD23 ' A' ' 26' ' ' LEU . 3.8 p -96.92 115.25 35.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.94 0.4 . . . . 0.0 110.205 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.687 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.3 m -73.82 175.52 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.511 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -142.31 108.04 5.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.195 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.909 HD12 ' CD2' ' A' ' 27' ' ' TYR . 57.1 mt -127.25 133.49 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.569 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.4 p 55.74 24.53 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.931 0.396 . . . . 0.0 110.799 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.07 -19.54 41.86 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -86.99 142.63 27.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.841 0.353 . . . . 0.0 110.805 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.634 HD23 HG21 ' A' ' 19' ' ' VAL . 11.2 mp -75.93 132.03 40.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.439 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.909 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.4 m-85 -115.05 163.78 15.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.464 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -98.21 128.84 44.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.669 HD23 ' OG ' ' A' ' 17' ' ' SER . 39.6 tp -99.26 102.91 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.443 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.704 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.8 p -113.27 146.86 38.66 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.211 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' SER . 44.8 m -122.02 143.5 49.46 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.192 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.604 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 11.2 ptm180 . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.808 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 48.2 m -115.52 109.49 17.89 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.0 m -87.84 137.07 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.79 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' TYR . . . . . 0.651 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.4 p90 -164.14 153.1 13.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m -89.91 143.72 26.54 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.661 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.645 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.5 ptm180 -139.58 154.74 47.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.47 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.527 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -82.4 65.31 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.003 0.43 . . . . 0.0 110.554 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.573 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 142.43 -170.36 25.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.627 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 47.5 mtt-85 -73.67 157.38 36.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.965 0.412 . . . . 0.0 110.805 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.645 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 6.4 m -104.83 -164.13 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.756 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.54 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.94 162.44 20.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.73 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.3 m -60.56 -42.98 97.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -58.18 -30.02 66.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.671 ' OE2' ' NH1' ' A' ' 32' ' ' ARG . 2.0 mt-10 -72.46 169.91 15.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.608 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 31' ' ' CYS . 3.2 p -136.03 131.42 34.94 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -78.74 125.33 29.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.924 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.774 ' OG ' HD23 ' A' ' 29' ' ' LEU . 58.5 p -104.98 -23.05 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.017 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.63 -179.82 40.82 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.659 ' O ' HG13 ' A' ' 19' ' ' VAL . 3.4 p -96.36 116.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.686 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.3 m -73.87 174.52 8.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.566 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.0 mp0 -143.63 105.48 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.914 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.481 HD12 ' CD2' ' A' ' 27' ' ' TYR . 74.3 mt -127.38 135.72 62.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 p 59.43 23.41 11.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.699 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.9 4.62 90.24 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -108.65 152.92 24.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 110.694 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 2.5 mm? -78.25 131.79 37.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.697 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.686 ' O ' ' N ' ' A' ' 20' ' ' CYS . 9.1 m-85 -121.45 160.44 24.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.618 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 7.0 mpt_? -100.75 129.27 46.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.268 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.774 HD23 ' OG ' ' A' ' 17' ' ' SER . 40.4 tp -102.19 107.8 18.99 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.624 ' SG ' ' CZ ' ' A' ' 4' ' ' TYR . 25.6 p -112.63 146.64 38.27 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.541 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' SER . 39.6 m -123.36 136.61 54.74 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.147 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.671 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 8.9 ptm180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 32' ' ' ARG . 33.7 m -123.12 109.33 13.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.191 0.519 . . . . 0.0 110.838 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 99.2 m -85.12 135.61 33.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.681 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.658 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.3 p90 -163.96 156.21 17.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.54 179.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.59 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.6 m -92.85 146.75 23.4 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.683 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.649 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 8.2 ptm180 -141.6 157.78 44.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.907 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.561 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -85.08 66.76 9.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.804 0.335 . . . . 0.0 110.524 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.454 ' C ' HH11 ' A' ' 28' ' ' ARG . . . 140.9 -169.49 24.9 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.649 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 60.0 mtm-85 -72.15 157.53 37.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.853 0.358 . . . . 0.0 110.812 179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.644 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 1.7 m -105.14 -166.5 1.23 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.447 -179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.83 163.61 20.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.725 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 84.1 m -61.63 -43.5 98.75 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.648 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 -57.6 -28.79 63.95 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.303 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.694 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.9 mt-10 -74.08 171.25 13.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.675 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.3 p -140.49 131.77 26.64 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.685 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -75.91 126.43 30.99 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.573 -0.739 . . . . 0.0 111.151 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.761 ' OG ' HD23 ' A' ' 29' ' ' LEU . 61.8 p -108.54 -21.22 12.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.932 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.13 -179.86 40.55 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -97.24 119.2 44.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.013 0.435 . . . . 0.0 110.255 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.687 ' N ' ' O ' ' A' ' 27' ' ' TYR . 5.4 m -78.67 178.28 7.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.457 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -146.12 108.15 4.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.992 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.819 HD12 ' CD2' ' A' ' 27' ' ' TYR . 47.8 mt -130.69 135.1 61.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.755 -179.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.3 p 58.08 26.88 14.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.649 -0.42 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.01 -6.97 60.93 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -98.12 142.82 29.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.011 0.434 . . . . 0.0 110.616 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.5 pp -72.38 128.77 36.63 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.738 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.819 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.9 m-85 -114.75 161.65 17.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.232 179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.474 HH11 ' N ' ' A' ' 9' ' ' ARG . 68.8 mtt180 -101.5 133.6 45.89 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.761 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.8 tp -101.98 108.57 20.06 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.727 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.694 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.6 p -112.06 148.21 34.38 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.2 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 15' ' ' SER . 54.6 m -125.13 133.46 52.83 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.238 -0.585 . . . . 0.0 110.311 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.637 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 8.3 ptm180 . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.958 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.3 m -123.0 109.87 14.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.041 0.448 . . . . 0.0 110.574 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.7 m -85.75 135.46 33.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.758 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.594 ' O ' HD12 ' A' ' 29' ' ' LEU . 50.1 p90 -163.28 153.86 16.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.463 179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.558 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.7 m -90.71 141.48 28.75 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.74 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.791 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 1.9 ptp180 -137.8 152.63 49.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.696 179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.459 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.1 OUTLIER -81.7 77.32 8.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.44 179.357 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 132.42 -173.07 20.95 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.688 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 21.3 mtm180 -70.98 156.42 39.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.928 0.395 . . . . 0.0 110.789 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.791 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.1 m -104.66 -167.52 1.36 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.626 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.611 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.7 160.02 25.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.545 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 99.7 m -60.4 -42.7 96.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.552 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -58.51 -31.03 67.51 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.369 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.685 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -70.56 166.85 19.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.68 -179.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.547 ' O ' ' N ' ' A' ' 31' ' ' CYS . 5.9 p -135.06 132.62 38.43 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.24 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.644 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -77.28 128.05 33.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.912 -179.812 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.688 ' OG ' HD23 ' A' ' 29' ' ' LEU . 67.7 p -109.16 -22.02 12.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.15 -179.92 41.52 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 -179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.626 ' CG2' HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.7 124.87 49.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.869 0.366 . . . . 0.0 110.181 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.638 ' N ' ' O ' ' A' ' 27' ' ' TYR . 7.4 m -87.53 176.48 7.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.487 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 47.4 tt0 -142.84 109.77 5.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.306 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.922 HD12 ' CD2' ' A' ' 27' ' ' TYR . 64.7 mt -132.05 135.11 58.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.663 -179.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.4 p 58.45 26.56 14.35 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.762 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.5 -10.37 55.63 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.445 HH11 ' HD2' ' A' ' 25' ' ' ARG . 42.4 ttm180 -96.59 147.58 23.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.855 0.359 . . . . 0.0 110.594 179.744 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.626 HD22 ' CG2' ' A' ' 19' ' ' VAL . 78.4 mt -75.16 132.23 41.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.759 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.922 ' CD2' HD12 ' A' ' 22' ' ' ILE . 5.9 m-85 -115.44 163.4 15.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.464 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.434 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 2.5 mpt_? -103.47 132.36 49.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.186 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.688 HD23 ' OG ' ' A' ' 17' ' ' SER . 38.5 tp -100.76 102.63 13.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.737 0.304 . . . . 0.0 110.768 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.685 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.4 p -107.55 144.13 35.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.54 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.547 ' N ' ' O ' ' A' ' 15' ' ' SER . 40.1 m -119.82 132.57 55.63 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 120.301 -0.56 . . . . 0.0 110.281 -179.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.417 ' O ' ' CG ' ' A' ' 32' ' ' ARG . 8.7 ptt180 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.566 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.3 m -123.17 110.99 15.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.558 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.8 m -86.06 135.65 33.54 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.935 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.604 ' O ' HD12 ' A' ' 29' ' ' LEU . 48.7 p90 -163.86 150.77 11.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.618 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.6 m -90.66 147.14 23.48 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.697 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.673 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 8.4 ptm180 -141.12 158.0 44.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.744 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.906 HG23 ' O ' ' A' ' 7' ' ' THR . 7.1 t -84.28 70.56 10.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.896 0.379 . . . . 0.0 110.591 179.317 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.421 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 136.97 -178.2 19.12 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.641 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 51.2 ttt85 -64.22 159.34 20.94 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 120.816 0.341 . . . . 0.0 110.526 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.673 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.9 m -108.75 -165.63 1.04 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.488 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.25 160.01 21.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.631 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.7 m -60.79 -42.37 97.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.471 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -57.72 -31.24 66.23 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.179 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -70.45 172.53 8.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.588 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 31' ' ' CYS . 5.1 p -138.3 131.38 30.02 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.164 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.691 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -77.18 129.34 35.83 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.071 -179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.814 ' OG ' HD23 ' A' ' 29' ' ' LEU . 83.9 p -109.97 -28.93 8.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.799 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 172.74 -179.99 43.87 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.608 ' CG2' HD22 ' A' ' 26' ' ' LEU . 0.3 OUTLIER -97.58 117.37 42.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.452 179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 43.0 m -77.59 -163.5 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.15 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' O ' HD13 ' A' ' 22' ' ' ILE . 44.0 tt0 -163.34 107.84 1.06 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.098 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.575 ' O ' ' OG ' ' A' ' 23' ' ' SER . 7.1 mm -124.49 135.44 63.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.575 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER 57.22 25.16 10.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.65 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.55 -15.49 54.33 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.441 ' NH2' ' OG1' ' A' ' 7' ' ' THR . 60.8 ttp180 -88.36 153.46 21.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.758 0.313 . . . . 0.0 110.637 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.608 HD22 ' CG2' ' A' ' 19' ' ' VAL . 76.2 mt -79.64 131.35 35.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.894 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.3 m-85 -117.95 153.69 33.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.514 179.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.4 mtp85 -96.44 135.35 38.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.277 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.814 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.0 tp -103.51 110.04 21.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.777 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 25.9 p -115.45 144.38 43.91 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.519 179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 15' ' ' SER . 36.2 m -121.98 137.84 54.65 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 120.413 -0.515 . . . . 0.0 110.265 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.554 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 23.3 ptt180 . . . . . 0 C--O 1.222 -0.388 0 CA-C-O 117.982 -1.009 . . . . 0.0 110.705 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.569 ' N ' ' O ' ' A' ' 32' ' ' ARG . 25.6 m -122.84 107.56 12.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.974 0.416 . . . . 0.0 110.515 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.7 m -87.85 135.67 33.29 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.696 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.673 ' O ' HD12 ' A' ' 29' ' ' LEU . 55.0 p90 -160.37 153.84 22.21 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.595 179.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.553 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.9 m -89.99 142.39 27.75 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.722 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.793 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.5 OUTLIER -137.22 156.61 48.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.631 179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.5 HG23 ' O ' ' A' ' 7' ' ' THR . 5.0 t -83.63 66.78 9.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.556 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.553 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 138.93 -170.73 23.91 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.632 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 20.4 ttp180 -71.89 156.97 38.68 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-O 120.847 0.356 . . . . 0.0 110.605 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.793 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.6 m -104.62 -165.46 1.14 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.584 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.525 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.18 162.97 21.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.659 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.9 m -60.56 -43.21 97.5 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.726 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 mtt85 -57.73 -29.16 64.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.329 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.674 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.1 mt-10 -73.98 165.4 25.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.604 -179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.536 ' O ' ' N ' ' A' ' 31' ' ' CYS . 5.0 p -132.98 132.79 42.33 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.973 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -77.76 131.09 37.48 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.901 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.79 ' OG ' HD23 ' A' ' 29' ' ' LEU . 87.1 p -111.8 -27.58 8.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.01 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 173.68 -179.84 44.8 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 1.8 p -96.72 117.44 41.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.859 0.361 . . . . 0.0 110.189 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 27' ' ' TYR . 6.5 m -78.45 175.05 10.67 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.623 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.577 ' N ' ' CD ' ' A' ' 21' ' ' GLU . 0.4 OUTLIER -140.55 107.73 5.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.019 179.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.807 HD12 ' CD2' ' A' ' 27' ' ' TYR . 71.1 mt -132.01 141.28 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.697 -179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.497 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.1 p 53.96 22.99 3.66 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.609 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.0 -17.19 43.07 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -91.96 145.02 24.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.747 0.308 . . . . 0.0 110.583 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD12 ' C ' ' A' ' 26' ' ' LEU . 2.4 pp -71.15 132.09 44.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.807 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.1 m-85 -114.48 161.7 17.65 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.588 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -101.37 131.78 47.27 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.272 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.79 HD23 ' OG ' ' A' ' 17' ' ' SER . 47.0 tp -101.3 105.81 16.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.848 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.674 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.8 p -110.43 144.11 39.71 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.3 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' SER . 31.2 m -119.3 136.63 54.15 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.521 -179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.569 ' O ' ' N ' ' A' ' 2' ' ' THR . 24.6 ptt85 . . . . . 0 C--O 1.216 -0.665 0 CA-C-O 117.881 -1.057 . . . . 0.0 110.875 -179.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.413 ' HB1' ' N ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.586 ' N ' ' O ' ' A' ' 32' ' ' ARG . 53.5 m -122.12 107.73 12.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.483 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.6 m -85.21 136.33 33.56 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.775 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.677 ' O ' HD12 ' A' ' 29' ' ' LEU . 47.9 p90 -163.6 152.95 14.56 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.484 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.0 m -90.54 140.72 29.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.384 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.664 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.0 ptm180 -135.88 157.37 47.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.676 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.407 ' H ' HG22 ' A' ' 7' ' ' THR . 2.2 t -87.71 64.07 7.82 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.441 179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.656 ' O ' ' NE ' ' A' ' 6' ' ' ARG . . . 144.77 -172.92 25.51 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.616 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 48.1 ttp180 -69.38 157.56 36.81 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 120.943 0.402 . . . . 0.0 110.582 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.664 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 8.7 m -107.89 -167.16 1.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.474 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.665 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.2 158.42 26.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.627 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.7 m -60.62 -42.05 96.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.376 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 -58.6 -30.74 67.46 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.466 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.665 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.9 mt-10 -70.78 173.63 7.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.418 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.509 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.2 p -136.18 129.47 31.73 Favored 'General case' 0 CA--C 1.515 -0.388 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.015 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.746 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -79.4 126.53 30.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.968 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.783 ' OG ' HD23 ' A' ' 29' ' ' LEU . 52.7 p -105.38 -28.34 10.93 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.928 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.93 -179.86 42.01 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.67 HG21 HD23 ' A' ' 26' ' ' LEU . 7.6 p -96.37 117.5 40.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.929 0.395 . . . . 0.0 110.1 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 10.7 m -73.81 -173.84 1.64 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.455 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -152.32 105.24 3.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.331 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.528 ' O ' ' OG ' ' A' ' 23' ' ' SER . 6.3 mm -122.24 132.84 70.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.711 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.528 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.0 OUTLIER 54.85 30.69 14.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.718 179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.32 -14.35 40.52 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.458 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 78.7 ttt180 -87.59 155.93 19.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.693 0.282 . . . . 0.0 110.454 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.67 HD23 HG21 ' A' ' 19' ' ' VAL . 8.7 mp -86.81 130.37 34.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.667 ' O ' ' N ' ' A' ' 20' ' ' CYS . 8.3 m-85 -116.97 156.38 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.552 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.572 ' HG3' HD11 ' A' ' 16' ' ' LEU . 2.6 tpt180 -96.0 132.51 41.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.113 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.783 HD23 ' OG ' ' A' ' 17' ' ' SER . 30.8 tp -105.01 113.53 27.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 16.3 p -120.72 144.07 48.43 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.466 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.473 ' N ' ' O ' ' A' ' 15' ' ' SER . 53.3 m -118.97 137.81 53.24 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.304 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.586 ' O ' ' N ' ' A' ' 2' ' ' THR . 28.6 ptt180 . . . . . 0 C--O 1.221 -0.395 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.669 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.476 ' HB1' ' N ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.7 m -120.8 111.31 17.42 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.557 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -86.16 135.62 33.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.745 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.641 ' O ' HD12 ' A' ' 29' ' ' LEU . 48.0 p90 -162.13 154.2 19.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.533 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.501 ' HB2' HD11 ' A' ' 22' ' ' ILE . 5.5 m -91.13 142.44 27.75 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.35 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.673 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.6 ptm180 -137.72 157.3 46.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.633 179.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.894 HG23 ' O ' ' A' ' 7' ' ' THR . 7.1 t -87.4 66.44 9.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.628 179.59 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.459 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 143.51 -170.0 25.74 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.581 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 50.0 ttp180 -72.31 155.66 39.94 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.898 0.38 . . . . 0.0 110.583 179.646 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.673 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 8.8 m -105.3 -166.45 1.22 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.535 -179.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.672 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.67 159.43 23.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.544 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 90.2 m -61.28 -42.58 98.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.512 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmm180 -58.59 -29.42 66.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.402 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.672 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 2.8 mt-10 -72.64 169.87 15.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.593 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.514 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 6.0 p -134.98 132.88 38.88 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.638 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -79.19 125.92 30.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.82 -179.666 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.788 ' OG ' HD23 ' A' ' 29' ' ' LEU . 77.3 p -105.35 -21.34 13.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.77 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 165.95 -179.83 39.92 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 19' ' ' VAL . 6.1 p -96.41 117.41 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.003 0.43 . . . . 0.0 110.173 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.7 ' N ' ' O ' ' A' ' 27' ' ' TYR . 5.2 m -76.85 177.31 7.76 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.458 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -143.48 107.5 4.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.2 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.735 HD12 ' CD2' ' A' ' 27' ' ' TYR . 75.4 mt -132.08 132.55 61.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.73 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.463 ' C ' ' H ' ' A' ' 25' ' ' ARG . 4.9 p 56.8 41.87 27.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.761 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.11 -5.19 2.86 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' H ' ' C ' ' A' ' 23' ' ' SER . 67.8 ttt180 -101.84 139.73 37.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.94 0.4 . . . . 0.0 110.677 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.1 pp -70.79 135.96 48.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.699 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.735 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.2 m-85 -119.84 162.68 18.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.532 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.2 mmt180 -102.13 131.39 48.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.228 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.788 HD23 ' OG ' ' A' ' 17' ' ' SER . 39.7 tp -101.66 104.17 14.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.731 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.669 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 19.7 p -110.52 142.92 41.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.563 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.488 ' N ' ' O ' ' A' ' 15' ' ' SER . 39.5 m -118.62 135.88 54.2 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.371 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.476 ' N ' ' HB1' ' A' ' 1' ' ' ALA . 21.3 ptt85 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.713 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.545 ' N ' ' O ' ' A' ' 32' ' ' ARG . 54.3 m -122.45 108.35 13.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.628 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.9 m -86.82 135.7 33.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.524 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.643 ' O ' HD12 ' A' ' 29' ' ' LEU . 43.8 p90 -162.54 152.85 16.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.563 179.457 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.556 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.5 m -90.08 142.04 28.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.644 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.798 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.8 OUTLIER -136.73 152.67 50.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.596 179.864 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.408 ' H ' HG22 ' A' ' 7' ' ' THR . 2.8 t -83.95 60.34 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.551 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.494 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 151.69 -166.62 30.84 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.681 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 47.8 mtt85 -75.53 158.74 32.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.963 0.411 . . . . 0.0 110.879 179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.798 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.0 m -109.12 -169.93 1.57 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.689 -179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.619 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.4 160.77 25.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.991 0.425 . . . . 0.0 110.735 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 93.7 m -61.43 -41.92 97.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.431 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.9 mmt85 -58.95 -30.41 67.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.403 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.684 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.5 mt-10 -71.15 169.47 15.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.581 -179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.556 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.0 p -138.22 134.23 34.2 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.82 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -78.4 126.96 31.51 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.767 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.737 ' OG ' HD23 ' A' ' 29' ' ' LEU . 80.8 p -106.47 -19.97 13.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.874 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.22 -179.68 40.15 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 -179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.487 HG21 HD22 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -96.33 117.63 41.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.883 0.373 . . . . 0.0 110.213 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.672 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.2 m -78.7 174.58 11.27 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.535 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.538 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.1 mp0 -141.77 108.02 5.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.039 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.898 HD12 ' CD2' ' A' ' 27' ' ' TYR . 68.4 mt -130.39 135.98 59.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.744 -179.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 p 57.54 25.78 11.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.847 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.52 1.28 86.22 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.4 ttm-85 -106.67 146.55 30.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.762 0.315 . . . . 0.0 110.525 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.487 HD22 HG21 ' A' ' 19' ' ' VAL . 97.3 mt -70.71 132.0 44.73 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.807 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.898 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.4 m-85 -119.83 160.54 22.45 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.489 179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 88.7 mtt-85 -102.34 131.65 48.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.375 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.737 HD23 ' OG ' ' A' ' 17' ' ' SER . 39.7 tp -102.63 101.7 11.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 25.6 p -105.48 144.52 32.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.421 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.556 ' N ' ' O ' ' A' ' 15' ' ' SER . 36.9 m -120.91 132.67 55.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.276 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.545 ' O ' ' N ' ' A' ' 2' ' ' THR . 22.6 ptt85 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.583 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.424 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 52.4 m -121.98 109.14 14.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.599 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -87.3 135.99 33.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.57 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.586 ' O ' HD12 ' A' ' 29' ' ' LEU . 50.1 p90 -161.92 153.49 18.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.353 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.3 m -90.31 146.56 24.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.521 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 1.5 ptp180 -141.41 156.46 45.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.516 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 25.6 m -83.27 59.54 5.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 148.77 -164.7 29.16 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.954 -0.859 . . . . 0.0 110.954 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.697 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 29.6 mtm180 -79.0 157.99 28.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.748 179.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.8 m -104.51 -166.19 1.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.44 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.536 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -82.83 162.78 21.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.599 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 97.8 m -60.59 -43.23 97.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.468 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.409 ' HD3' HH11 ' A' ' 13' ' ' ARG . 26.1 mmt180 -57.75 -30.61 65.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.339 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -71.33 164.56 25.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.71 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.564 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.2 p -130.69 133.03 45.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.763 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.655 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -79.01 126.0 30.11 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.735 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.757 ' OG ' HD23 ' A' ' 29' ' ' LEU . 54.0 p -106.33 -23.21 12.6 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.699 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.05 -179.96 42.01 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.881 -0.888 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.714 HG21 HD12 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.37 117.52 40.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.878 0.37 . . . . 0.0 110.314 -179.745 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.685 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.9 m -78.67 177.64 8.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.579 179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.433 ' O ' HD13 ' A' ' 22' ' ' ILE . 97.4 mt-10 -148.64 112.42 5.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.558 ' O ' ' OG ' ' A' ' 23' ' ' SER . 5.5 mm -128.57 133.44 66.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.65 -179.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.558 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 2.9 p 54.89 29.76 12.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.444 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.74 -16.87 23.93 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 59.1 ttt-85 -83.0 154.55 24.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.81 0.338 . . . . 0.0 110.5 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.714 HD12 HG21 ' A' ' 19' ' ' VAL . 3.8 mm? -81.11 131.11 35.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.685 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.7 m-85 -120.34 155.24 33.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.608 179.362 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 8.2 mpt_? -100.45 134.9 42.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.46 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.757 HD23 ' OG ' ' A' ' 17' ' ' SER . 40.9 tp -104.08 105.2 15.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.6 p -110.7 146.89 35.47 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.372 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.564 ' N ' ' O ' ' A' ' 15' ' ' SER . 35.4 m -122.94 141.23 52.15 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.562 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.574 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 27.5 ptt180 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.736 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' ARG . 58.8 m -123.28 111.12 16.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.674 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.406 ' HB3' HD11 ' A' ' 29' ' ' LEU . 72.1 m -87.45 135.67 33.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.692 179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.605 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.5 p90 -161.35 154.65 21.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.512 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.572 ' HB2' HD11 ' A' ' 22' ' ' ILE . 4.3 m -91.0 141.66 28.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.464 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.797 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -139.67 155.11 47.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.627 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.7 m -80.03 72.9 6.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.471 179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.422 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 132.24 -174.38 20.33 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.4 mtt85 -70.27 160.47 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 110.767 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.797 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 5.6 m -105.42 -163.15 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.656 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.467 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -85.39 164.99 17.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.577 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 m -61.0 -42.71 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.541 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.8 mtp180 -57.72 -29.07 64.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.118 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.676 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.8 mt-10 -75.48 170.37 16.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 -179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.544 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.5 p -137.49 132.55 33.46 Favored 'General case' 0 CA--C 1.513 -0.457 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.902 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.639 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -78.48 124.96 28.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.73 0.644 . . . . 0.0 110.868 -179.698 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.777 ' OG ' HD23 ' A' ' 29' ' ' LEU . 54.8 p -106.23 -22.63 12.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.912 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.15 -179.79 40.6 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.754 HG21 HD23 ' A' ' 26' ' ' LEU . 7.2 p -96.49 117.13 40.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.954 0.407 . . . . 0.0 110.156 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.699 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.7 m -74.87 175.5 7.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.575 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -141.5 107.08 5.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.966 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.8 HD12 ' CD2' ' A' ' 27' ' ' TYR . 70.1 mt -129.97 136.48 58.79 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.824 -179.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 25' ' ' ARG . 1.2 p 51.29 38.18 20.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.731 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.56 -14.17 3.48 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.438 ' H ' ' C ' ' A' ' 23' ' ' SER . 57.4 ttp180 -93.13 139.46 30.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.951 0.405 . . . . 0.0 110.654 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.754 HD23 HG21 ' A' ' 19' ' ' VAL . 8.0 mp -71.35 137.16 48.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.801 -179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.8 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.5 m-85 -120.58 161.27 21.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.572 179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.507 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 6.7 mpt_? -99.3 129.43 45.52 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.777 HD23 ' OG ' ' A' ' 17' ' ' SER . 44.5 tp -100.18 107.48 19.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.098 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.676 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.3 p -112.64 146.87 37.87 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.401 179.501 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.49 ' N ' ' O ' ' A' ' 15' ' ' SER . 44.0 m -122.67 138.52 54.58 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 120.476 -0.49 . . . . 0.0 110.484 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 2' ' ' THR . 28.0 ptt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.822 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.44 ' N ' ' O ' ' A' ' 32' ' ' ARG . 94.2 m -120.28 109.79 15.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.462 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.2 m -86.35 135.62 33.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.676 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.658 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.0 p90 -165.05 153.15 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.537 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.1 m -90.79 145.75 24.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.831 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.79 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 4.3 ptp180 -143.54 154.85 44.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.465 179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.6 m -80.84 75.33 7.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.464 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.424 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 131.94 176.75 14.54 Favored Glycine 0 CA--C 1.527 0.804 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.437 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 56.5 ttp180 -62.62 157.87 19.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.732 0.301 . . . . 0.0 110.386 179.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.79 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 11.8 m -104.47 -166.06 1.2 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.546 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.558 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -82.51 163.35 21.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.687 -179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.4 m -60.37 -42.8 96.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 79.7 mmt-85 -58.23 -29.7 65.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.367 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.671 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.2 mt-10 -74.88 163.26 27.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.531 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.578 ' O ' ' N ' ' A' ' 31' ' ' CYS . 4.2 p -131.63 134.44 45.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.756 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.714 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -77.52 123.84 27.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.508 -179.811 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.735 ' OG ' HD23 ' A' ' 29' ' ' LEU . 38.9 p -103.89 -28.46 11.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.752 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 175.6 -179.75 46.61 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 p -96.58 117.98 42.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.863 0.363 . . . . 0.0 110.399 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.709 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.3 m -81.02 -175.67 5.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.447 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.768 ' O ' HD13 ' A' ' 22' ' ' ILE . 7.8 pt-20 -153.09 113.91 4.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.464 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.768 HD13 ' O ' ' A' ' 21' ' ' GLU . 7.0 mm -131.34 139.9 49.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.617 -179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.426 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.5 p 52.3 23.1 2.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.637 179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.66 -24.27 18.33 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -80.89 141.33 34.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.756 0.312 . . . . 0.0 110.722 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.853 HD12 ' C ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -67.93 134.06 50.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.026 0.441 . . . . 0.0 110.673 179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.709 ' O ' ' N ' ' A' ' 20' ' ' CYS . 5.1 m-85 -118.06 159.39 23.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.737 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.9 mtt-85 -102.9 132.03 49.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.204 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.735 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.4 tp -101.14 108.44 20.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.671 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 24.6 p -111.45 146.81 36.56 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.441 179.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.578 ' N ' ' O ' ' A' ' 15' ' ' SER . 36.9 m -122.95 134.14 54.35 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.345 -179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 2' ' ' THR . 6.0 ptm180 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 117.898 -1.049 . . . . 0.0 110.686 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.491 ' HB1' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 32' ' ' ARG . 45.2 m -118.43 108.53 15.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.396 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 94.9 m -87.44 135.91 33.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.834 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.665 ' OH ' ' NH1' ' A' ' 32' ' ' ARG . 55.6 p90 -164.85 154.76 13.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.451 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.524 ' HB2' HD11 ' A' ' 22' ' ' ILE . 5.2 m -90.86 143.08 27.09 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.371 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.688 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.2 ptm180 -137.12 157.92 45.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.591 ' OG1' ' CE2' ' A' ' 27' ' ' TYR . 28.8 m -85.55 73.08 10.53 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.403 179.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.455 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.18 -172.84 21.31 Favored Glycine 0 CA--C 1.527 0.805 0 N-CA-C 110.979 -0.849 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.76 HH12 HD23 ' A' ' 16' ' ' LEU . 19.9 tpt85 -69.19 155.93 39.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.825 0.345 . . . . 0.0 110.343 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.688 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 6.8 m -104.56 -167.26 1.33 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.376 -179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.649 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -80.38 160.78 25.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.7 -179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.0 m -61.35 -42.77 99.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.745 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 -58.38 -29.51 66.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.373 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.665 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.7 mt-10 -72.95 167.8 20.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.814 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.512 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.1 p -132.68 130.7 40.45 Favored 'General case' 0 CA--C 1.512 -0.493 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.993 -179.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.76 HD23 HH12 ' A' ' 9' ' ' ARG . 0.2 OUTLIER -77.92 111.93 14.28 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.834 -179.717 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.783 ' OG ' HD23 ' A' ' 29' ' ' LEU . 36.7 p -91.34 -22.45 20.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.935 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.35 -179.67 41.79 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.551 HG21 HD21 ' A' ' 26' ' ' LEU . 8.3 p -96.44 126.13 49.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.747 0.308 . . . . 0.0 110.261 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.671 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.3 m -91.16 168.95 11.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.448 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -142.37 112.3 6.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.99 179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.949 HD12 ' CD2' ' A' ' 27' ' ' TYR . 54.8 mt -128.51 135.7 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.682 -179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER 54.01 36.52 24.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.952 0.406 . . . . 0.0 110.663 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.65 -11.48 7.12 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 26' ' ' LEU . 55.8 ttt85 -87.02 158.19 19.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.836 0.351 . . . . 0.0 110.569 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.551 HD21 HG21 ' A' ' 19' ' ' VAL . 15.9 tp -88.2 125.58 34.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.47 -179.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.949 ' CD2' HD12 ' A' ' 22' ' ' ILE . 7.9 m-85 -116.38 159.54 21.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.546 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.516 ' NH1' ' CD ' ' A' ' 9' ' ' ARG . 99.5 mtt180 -107.45 135.74 48.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.492 179.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.783 HD23 ' OG ' ' A' ' 17' ' ' SER . 46.4 tp -101.35 108.03 19.53 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.59 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.665 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 20.6 p -112.96 146.15 39.52 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.284 179.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.512 ' N ' ' O ' ' A' ' 15' ' ' SER . 48.0 m -123.19 139.2 54.3 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 120.111 -0.636 . . . . 0.0 110.362 -179.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.665 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 27.3 ptt180 . . . . . 0 C--O 1.219 -0.534 0 CA-C-O 118.153 -0.927 . . . . 0.0 110.989 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.5 m -123.07 112.1 17.35 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.542 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.8 m -86.43 135.66 33.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.762 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.645 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.1 p90 -161.46 155.25 21.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.627 179.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.522 ' HB2' HD11 ' A' ' 22' ' ' ILE . 4.6 m -90.75 142.52 27.67 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.358 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.707 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 4.8 ptm180 -136.16 157.97 45.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.766 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.667 HG23 ' O ' ' A' ' 7' ' ' THR . 8.3 t -85.83 74.43 10.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.661 179.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.465 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 132.02 -163.11 23.92 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.824 -0.911 . . . . 0.0 110.824 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.578 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -76.67 158.36 31.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.29 0.567 . . . . 0.0 110.592 179.493 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.707 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 15.4 m -106.1 -163.13 0.91 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.42 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.648 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -87.92 159.96 18.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.807 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.7 m -60.92 -42.59 98.42 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.454 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 87.2 mmt-85 -57.89 -30.13 65.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.389 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.678 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.9 mt-10 -72.05 174.8 6.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.627 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.517 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 2.5 p -137.68 128.63 27.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.93 -179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -78.79 126.71 31.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.663 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.769 ' OG ' HD23 ' A' ' 29' ' ' LEU . 68.4 p -107.36 -21.31 12.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.925 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.04 -179.73 40.02 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.674 ' O ' HG13 ' A' ' 19' ' ' VAL . 7.8 p -96.47 117.68 41.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.94 0.4 . . . . 0.0 110.04 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.688 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.4 m -75.69 173.48 11.02 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.58 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -139.24 106.56 5.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.14 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.812 HD12 ' CD2' ' A' ' 27' ' ' TYR . 69.7 mt -129.23 135.34 62.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.945 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.484 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.3 p 53.48 37.23 25.21 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.781 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 71.6 -1.61 27.94 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 179.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -103.7 148.39 26.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.475 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.549 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 2.7 mm? -76.85 134.31 39.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.799 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.812 ' CD2' HD12 ' A' ' 22' ' ' ILE . 7.2 m-85 -120.95 161.89 20.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.573 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -101.66 131.67 47.78 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.116 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.769 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.1 tp -102.86 103.69 13.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.754 -179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.678 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 15.4 p -111.0 143.61 41.42 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.474 179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 15' ' ' SER . 34.9 m -118.06 139.29 51.42 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.328 -179.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 32' ' ' ARG . 10.6 ptt180 . . . . . 0 C--O 1.221 -0.402 0 CA-C-O 117.883 -1.056 . . . . 0.0 110.631 -179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.476 ' N ' ' O ' ' A' ' 32' ' ' ARG . 99.5 m -122.18 110.49 15.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.557 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 93.3 m -85.83 135.54 33.67 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.705 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.655 ' O ' HD12 ' A' ' 29' ' ' LEU . 44.2 p90 -164.85 153.69 12.59 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.618 179.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.554 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.9 m -90.04 142.17 27.97 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.592 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.6 OUTLIER -136.59 155.85 49.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.685 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.666 HG22 ' O ' ' A' ' 7' ' ' THR . 29.1 m -81.33 71.55 8.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.592 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.573 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.09 -176.99 19.26 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -66.34 156.9 33.16 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.796 0.331 . . . . 0.0 110.431 179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 6.4 m -104.51 -169.41 1.62 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.501 -179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.534 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -79.6 161.58 25.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.592 -179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 80.7 m -59.65 -42.53 93.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.421 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 13' ' ' ARG . 80.3 mmt-85 -58.16 -30.57 66.49 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.289 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.647 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.1 mt-10 -71.96 162.9 28.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.724 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.593 ' O ' ' N ' ' A' ' 31' ' ' CYS . 3.9 p -130.01 133.14 46.56 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.049 -179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.637 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -79.85 126.15 30.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.034 -179.712 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.77 ' OG ' HD23 ' A' ' 29' ' ' LEU . 45.3 p -106.44 -21.7 13.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.703 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 169.62 -179.65 41.96 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 -179.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.669 HG23 HD21 ' A' ' 26' ' ' LEU . 12.2 p -96.51 126.24 49.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.228 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.674 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.8 m -92.38 172.12 8.6 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.719 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 78.8 tt0 -145.49 111.99 5.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.054 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.825 HD12 ' CD2' ' A' ' 27' ' ' TYR . 59.0 mt -132.56 140.9 46.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.774 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 p 58.49 24.42 11.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.551 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.68 1.7 87.16 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.445 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 57.2 ttp180 -105.39 158.81 16.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.791 0.329 . . . . 0.0 110.756 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.7 ' C ' HD23 ' A' ' 26' ' ' LEU . 8.3 tt -79.05 130.48 35.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.825 ' CD2' HD12 ' A' ' 22' ' ' ILE . 7.8 m-85 -121.61 156.9 31.97 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.589 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -105.2 135.02 47.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.195 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.77 HD23 ' OG ' ' A' ' 17' ' ' SER . 42.8 tp -102.04 103.54 14.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.946 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.647 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 26.9 p -109.24 145.84 35.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.461 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.593 ' N ' ' O ' ' A' ' 15' ' ' SER . 37.2 m -120.67 139.3 53.21 Favored 'General case' 0 N--CA 1.448 -0.548 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.255 -179.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.558 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 29.9 ptt180 . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.647 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.444 ' HB1' ' N ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 54.8 m -116.71 110.72 18.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.932 0.396 . . . . 0.0 110.533 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.5 m -86.68 135.79 33.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.699 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.655 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.4 p90 -162.56 157.17 21.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.489 179.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.556 ' HB2' HD11 ' A' ' 22' ' ' ILE . 4.2 m -92.58 141.95 27.93 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.5 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.657 ' CZ ' ' O ' ' A' ' 9' ' ' ARG . 6.7 ptm180 -137.15 157.22 47.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.553 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.517 HG22 ' O ' ' A' ' 7' ' ' THR . 86.2 m -83.26 64.95 8.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.527 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.616 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 140.71 -170.04 24.64 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.657 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 44.2 mtt180 -74.27 158.67 33.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.632 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.4 m -104.65 -164.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.638 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.419 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -86.57 163.77 17.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.595 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -59.49 -42.19 91.56 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.596 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -57.27 -30.35 64.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.391 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.684 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -74.66 167.6 21.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.507 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.569 ' O ' ' N ' ' A' ' 31' ' ' CYS . 2.5 p -134.33 130.98 37.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -78.15 127.95 33.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.74 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.783 ' OG ' HD23 ' A' ' 29' ' ' LEU . 67.7 p -108.58 -23.92 11.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.763 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 170.8 -179.95 42.44 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 19' ' ' VAL . 12.3 p -96.24 117.29 40.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.971 0.415 . . . . 0.0 110.246 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.693 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.8 m -77.2 173.75 11.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.658 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -141.96 108.47 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.115 179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.899 HD12 ' CD2' ' A' ' 27' ' ' TYR . 75.5 mt -128.7 135.29 62.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.811 -179.107 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.504 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 0.8 OUTLIER 54.92 26.41 7.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.654 179.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.42 -12.15 52.53 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 57.6 ttm-85 -91.37 147.17 23.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.859 0.361 . . . . 0.0 110.484 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.519 HD22 HG21 ' A' ' 19' ' ' VAL . 43.0 mt -74.55 133.99 42.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.899 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.4 m-85 -121.2 159.73 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.701 179.73 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 81.6 mmt-85 -100.91 131.81 46.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.245 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.783 HD23 ' OG ' ' A' ' 17' ' ' SER . 48.2 tp -101.83 101.66 12.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.68 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.684 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.6 p -108.13 145.72 33.71 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.407 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.569 ' N ' ' O ' ' A' ' 15' ' ' SER . 35.6 m -120.78 133.32 55.33 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.866 -0.333 . . . . 0.0 110.301 -179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.581 ' NH1' ' OH ' ' A' ' 4' ' ' TYR . 23.9 ptt180 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.721 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 18.7 m -120.84 111.21 17.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.717 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.9 m -88.08 135.69 33.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.592 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.609 ' O ' HD12 ' A' ' 29' ' ' LEU . 48.4 p90 -160.13 151.01 18.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.518 179.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.532 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.3 m -90.46 142.82 27.36 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.553 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.823 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 3.3 ptp180 -138.81 152.35 47.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.453 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.438 ' CB ' HH22 ' A' ' 25' ' ' ARG . 2.8 t -79.28 63.47 3.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.708 179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 147.21 -171.51 27.86 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -73.65 159.06 33.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.747 0.308 . . . . 0.0 110.73 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.823 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 3.9 m -106.11 -167.75 1.35 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.556 -179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.542 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.53 162.13 23.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.656 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -60.23 -43.4 96.07 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.52 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -58.1 -29.32 65.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.458 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.678 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -72.13 166.9 21.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.581 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.54 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.3 p -134.01 134.1 42.06 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.689 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.66 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -79.5 125.59 29.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.82 -179.588 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.75 ' OG ' HD23 ' A' ' 29' ' ' LEU . 62.1 p -104.52 -24.57 13.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.709 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 168.55 -179.6 41.41 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.6 ' O ' HG13 ' A' ' 19' ' ' VAL . 12.3 p -96.61 120.46 45.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.152 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.667 ' N ' ' O ' ' A' ' 27' ' ' TYR . 4.9 m -81.35 178.13 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.697 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.484 ' HG3' HD23 ' A' ' 26' ' ' LEU . 56.7 mp0 -142.27 106.02 4.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.317 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.856 HD12 ' CD2' ' A' ' 27' ' ' TYR . 68.8 mt -129.73 138.26 54.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.791 -179.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.1 p 58.32 25.31 12.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.698 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.17 5.57 89.04 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.807 ' NH2' ' CZ ' ' A' ' 27' ' ' TYR . 69.4 ttp85 -113.03 153.12 28.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.814 0.34 . . . . 0.0 110.472 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.485 HD22 ' CG2' ' A' ' 19' ' ' VAL . 43.8 mt -75.78 132.02 40.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.842 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.856 ' CD2' HD12 ' A' ' 22' ' ' ILE . 5.7 m-85 -117.93 161.16 20.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.64 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.6 mtt85 -100.41 129.58 46.4 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.177 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.75 HD23 ' OG ' ' A' ' 17' ' ' SER . 41.5 tp -101.69 105.26 16.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.585 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.678 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 28.0 p -109.41 145.35 36.28 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.56 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.53 ' N ' ' O ' ' A' ' 15' ' ' SER . 33.1 m -120.85 140.3 51.96 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.535 -179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.459 HH11 ' HD2' ' A' ' 32' ' ' ARG . 18.3 ptt85 . . . . . 0 C--O 1.218 -0.572 0 CA-C-O 117.886 -1.054 . . . . 0.0 110.64 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.5 m -122.19 107.02 11.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.551 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 74.4 m -86.73 135.54 33.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.801 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.564 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.7 p90 -163.49 153.67 15.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.457 179.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.557 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.9 m -90.06 141.82 28.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.528 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.786 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.4 OUTLIER -137.69 157.62 46.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.696 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -86.38 73.29 10.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.437 179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.481 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 134.23 -170.87 22.41 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.613 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 56.0 ttp180 -70.42 156.21 39.66 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.825 0.345 . . . . 0.0 110.47 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.786 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.0 m -104.72 -168.35 1.47 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.441 -179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.616 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -79.59 160.85 26.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.547 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 75.1 m -60.52 -43.51 97.04 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.65 -179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -58.12 -29.96 65.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.424 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.686 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.5 mt-10 -71.66 166.28 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.675 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.548 ' O ' ' N ' ' A' ' 31' ' ' CYS . 6.4 p -135.63 133.33 38.1 Favored 'General case' 0 CA--C 1.514 -0.421 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.665 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -75.91 125.71 29.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.68 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.762 ' OG ' HD23 ' A' ' 29' ' ' LEU . 59.0 p -106.59 -26.8 11.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.775 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 174.18 -179.74 45.33 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 -179.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 19' ' ' VAL . 1.4 p -96.52 121.57 47.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.891 0.377 . . . . 0.0 110.245 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.649 ' N ' ' O ' ' A' ' 27' ' ' TYR . 7.5 m -83.32 -178.65 7.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.68 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -150.54 106.76 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.206 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.844 HD12 ' CD2' ' A' ' 27' ' ' TYR . 58.7 mt -130.2 134.3 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.925 -179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 p 61.04 27.09 16.98 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.768 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.71 -0.53 81.58 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -105.87 141.31 37.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.771 0.32 . . . . 0.0 110.747 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.656 ' O ' HD12 ' A' ' 26' ' ' LEU . 2.3 pp -70.19 126.77 30.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.621 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.844 ' CD2' HD12 ' A' ' 22' ' ' ILE . 4.8 m-85 -111.2 164.66 12.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.538 179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 80.2 mtp85 -103.15 132.71 49.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.111 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.762 HD23 ' OG ' ' A' ' 17' ' ' SER . 43.7 tp -101.84 104.54 15.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.76 -179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.686 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 24.2 p -109.02 146.16 34.38 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.408 179.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.548 ' N ' ' O ' ' A' ' 15' ' ' SER . 42.3 m -123.18 131.52 53.71 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.395 -179.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.692 -179.86 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.555 ' N ' ' O ' ' A' ' 32' ' ' ARG . 52.0 m -121.93 111.66 17.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.57 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -85.62 135.74 33.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.655 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.586 ' O ' HD12 ' A' ' 29' ' ' LEU . 42.9 p90 -165.61 149.99 8.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.457 179.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.2 m -91.49 139.52 30.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.589 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.685 ' NH1' ' O ' ' A' ' 9' ' ' ARG . 6.9 ptm180 -138.98 152.31 47.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.35 179.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -76.7 82.22 3.33 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.808 179.642 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.675 ' C ' ' NH1' ' A' ' 6' ' ' ARG . . . 131.91 -167.37 22.82 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.844 -0.903 . . . . 0.0 110.844 179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.685 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 76.1 ttt180 -80.67 158.84 25.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 110.65 179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.555 ' SG ' ' HD2' ' A' ' 6' ' ' ARG . 1.8 m -104.53 -164.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.546 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.482 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -84.71 161.6 19.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.5 m -59.77 -42.18 92.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.359 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -57.59 -31.36 66.12 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.311 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.704 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 1.8 mt-10 -71.03 170.23 13.27 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.53 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 4.4 p -136.58 134.23 37.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.764 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -78.81 122.46 26.09 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.815 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.785 ' OG ' HD23 ' A' ' 29' ' ' LEU . 58.5 p -102.49 -23.4 13.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.782 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.45 179.88 40.55 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.783 HG21 HD12 ' A' ' 26' ' ' LEU . 1.4 p -96.41 118.41 42.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.908 0.385 . . . . 0.0 110.373 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.691 ' N ' ' O ' ' A' ' 27' ' ' TYR . 6.9 m -79.85 -169.74 2.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.454 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.406 ' O ' HD13 ' A' ' 22' ' ' ILE . 10.4 pt-20 -163.3 113.85 1.39 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.351 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.575 ' O ' ' OG ' ' A' ' 23' ' ' SER . 5.4 mm -127.7 134.83 64.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.716 -179.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.575 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.6 p 55.88 22.94 6.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.481 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.14 -21.53 33.95 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -79.4 151.18 31.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.869 0.366 . . . . 0.0 110.575 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.783 HD12 HG21 ' A' ' 19' ' ' VAL . 3.3 mm? -76.07 139.81 41.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.691 ' O ' ' N ' ' A' ' 20' ' ' CYS . 11.3 m-85 -130.99 152.61 50.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.579 179.498 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -100.52 134.23 43.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.478 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.785 HD23 ' OG ' ' A' ' 17' ' ' SER . 37.7 tp -102.29 111.8 24.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.762 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.704 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 30.9 p -116.55 144.06 44.83 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.503 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 15' ' ' SER . 40.0 m -121.38 131.57 54.26 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.465 -179.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.555 ' O ' ' N ' ' A' ' 2' ' ' THR . 15.0 ptt180 . . . . . 0 C--O 1.219 -0.521 0 CA-C-O 117.965 -1.017 . . . . 0.0 110.611 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 30.6 m -120.88 109.66 15.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.555 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 90.7 m -87.42 135.89 33.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.841 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.681 ' O ' HD12 ' A' ' 29' ' ' LEU . 53.4 p90 -162.08 152.38 17.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.511 179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.8 m -92.69 144.04 25.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.396 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.677 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 7.6 ptm180 -136.78 157.53 46.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.598 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.887 HG23 ' O ' ' A' ' 7' ' ' THR . 6.7 t -86.17 63.59 8.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.694 179.651 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.489 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 145.88 -172.9 26.41 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.648 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 66.0 ttp85 -69.04 154.66 41.69 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.833 0.349 . . . . 0.0 110.523 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.677 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 4.9 m -104.67 -167.08 1.31 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.575 -179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.684 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -81.69 156.81 24.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.664 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -59.96 -43.0 95.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.685 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 13' ' ' ARG . 37.3 mmt180 -57.9 -30.72 66.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.332 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.684 ' HG3' ' HB3' ' A' ' 11' ' ' ALA . 3.0 mt-10 -69.32 172.6 6.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.43 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.521 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 5.8 p -132.55 128.83 38.1 Favored 'General case' 0 CA--C 1.513 -0.468 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.779 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -80.47 125.02 29.42 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.733 -179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.858 ' OG ' HD23 ' A' ' 29' ' ' LEU . 59.7 p -102.7 -45.58 4.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -171.47 -179.87 42.8 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.637 HG21 HD22 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -96.75 116.34 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.87 0.366 . . . . 0.0 110.476 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.673 ' N ' ' O ' ' A' ' 27' ' ' TYR . 56.1 m -75.84 -167.43 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.265 179.519 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' O ' HD13 ' A' ' 22' ' ' ILE . 80.2 tt0 -157.95 106.95 2.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.342 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.573 ' O ' ' OG ' ' A' ' 23' ' ' SER . 7.2 mm -124.37 131.62 72.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.797 -179.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.573 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 4.1 p 55.11 32.76 18.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.694 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.12 -12.47 24.72 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.767 -0.933 . . . . 0.0 110.767 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.454 ' HG3' ' N ' ' A' ' 26' ' ' LEU . 7.7 tpp85 -90.42 142.14 28.04 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.801 0.334 . . . . 0.0 110.411 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.637 HD22 HG21 ' A' ' 19' ' ' VAL . 79.7 mt -71.31 133.37 45.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.946 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.673 ' O ' ' N ' ' A' ' 20' ' ' CYS . 6.4 m-85 -120.78 149.89 41.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.628 179.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.6 mmt-85 -94.93 135.52 36.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.341 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.858 HD23 ' OG ' ' A' ' 17' ' ' SER . 44.9 tp -104.07 110.79 23.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.659 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 22.9 p -117.56 141.85 47.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.586 179.649 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.464 ' O ' ' N ' ' A' ' 15' ' ' SER . 35.3 m -118.9 139.85 50.96 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.271 -179.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.658 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 7.7 ptm180 . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 117.903 -1.046 . . . . 0.0 110.703 -179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' HB1' ' C ' ' A' ' 32' ' ' ARG . . . . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 32' ' ' ARG . 86.9 m -118.54 110.28 17.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.188 0.518 . . . . 0.0 110.51 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.8 m -86.84 135.59 33.28 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.817 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.539 ' O ' HD12 ' A' ' 29' ' ' LEU . 43.9 p90 -165.25 154.59 12.6 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.802 179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.494 ' HB2' HD11 ' A' ' 22' ' ' ILE . 3.5 m -90.85 147.42 23.18 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 120.731 -0.387 . . . . 0.0 110.577 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.795 ' NE ' ' SG ' ' A' ' 10' ' ' CYS . 0.9 OUTLIER -138.55 156.47 47.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.759 179.743 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.884 HG23 ' O ' ' A' ' 7' ' ' THR . 10.2 t -82.67 71.17 9.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.608 179.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.584 ' O ' ' CD ' ' A' ' 6' ' ' ARG . . . 133.57 -178.37 18.32 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.411 ' O ' ' NH1' ' A' ' 6' ' ' ARG . 59.6 ttp180 -63.04 156.7 24.01 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 120.732 0.301 . . . . 0.0 110.476 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.795 ' SG ' ' NE ' ' A' ' 6' ' ' ARG . 4.5 m -104.5 -170.05 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.374 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.502 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.01 163.79 20.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.695 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 70.5 m -61.14 -42.82 99.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.606 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.4 mmt-85 -58.31 -29.31 65.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.303 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.704 ' OE1' ' SG ' ' A' ' 30' ' ' CYS . 2.0 mt-10 -73.02 165.56 24.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.365 -179.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.494 ' O ' ' HA ' ' A' ' 30' ' ' CYS . 3.3 p -130.43 126.06 36.03 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.187 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -75.41 129.84 37.98 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.01 -179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.669 ' OG ' HD23 ' A' ' 29' ' ' LEU . 77.1 p -113.14 -21.4 11.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.968 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 166.43 -179.85 40.17 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.634 HG21 HD23 ' A' ' 26' ' ' LEU . 3.8 p -96.92 115.25 35.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.94 0.4 . . . . 0.0 110.205 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.687 ' N ' ' O ' ' A' ' 27' ' ' TYR . 3.3 m -73.82 175.52 7.19 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.511 179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -142.31 108.04 5.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.195 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.909 HD12 ' CD2' ' A' ' 27' ' ' TYR . 57.1 mt -127.25 133.49 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.958 -179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.569 ' OG ' ' O ' ' A' ' 22' ' ' ILE . 1.4 p 55.74 24.53 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.931 0.396 . . . . 0.0 110.799 179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.07 -19.54 41.86 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -86.99 142.63 27.8 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.841 0.353 . . . . 0.0 110.805 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.634 HD23 HG21 ' A' ' 19' ' ' VAL . 11.2 mp -75.93 132.03 40.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.439 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.909 ' CD2' HD12 ' A' ' 22' ' ' ILE . 6.4 m-85 -115.05 163.78 15.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.464 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -98.21 128.84 44.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.669 HD23 ' OG ' ' A' ' 17' ' ' SER . 39.6 tp -99.26 102.91 14.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.854 0.359 . . . . 0.0 110.443 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.704 ' SG ' ' OE1' ' A' ' 14' ' ' GLU . 27.8 p -113.27 146.86 38.66 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.554 -0.458 . . . . 0.0 110.211 179.734 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' SER . 44.8 m -122.02 143.5 49.46 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 120.313 -0.555 . . . . 0.0 110.192 -179.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.604 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 11.2 ptm180 . . . . . 0 C--O 1.218 -0.556 0 CA-C-O 118.035 -0.984 . . . . 0.0 110.808 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.62 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 31' ' ' CYS . 48.2 m -115.52 109.49 17.89 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.535 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.0 m -87.84 137.07 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.79 179.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.651 ' O ' HD12 ' A' ' 29' ' ' LEU . 54.4 p90 -164.14 153.1 13.55 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.575 179.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 m -89.91 143.72 26.54 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.661 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.645 ' CD ' ' SG ' ' A' ' 10' ' ' CYS . 6.5 ptm180 -139.58 154.74 47.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.47 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.527 ' O ' ' OG1' ' A' ' 7' ' ' THR . 0.2 OUTLIER -82.4 65.31 7.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.003 0.43 . . . . 0.0 110.554 179.551 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.573 ' C ' ' HE ' ' A' ' 6' ' ' ARG . . . 142.43 -170.36 25.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.627 ' O ' ' CZ ' ' A' ' 6' ' ' ARG . 47.5 mtt-85 -73.67 157.38 36.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.965 0.412 . . . . 0.0 110.805 179.637 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.645 ' SG ' ' CD ' ' A' ' 6' ' ' ARG . 6.4 m -104.83 -164.13 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.756 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.54 ' HB3' ' HG3' ' A' ' 14' ' ' GLU . . . -83.94 162.44 20.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.73 -179.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.3 m -60.56 -42.98 97.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.655 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -58.18 -30.02 66.08 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.591 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.671 ' OE2' ' NH1' ' A' ' 32' ' ' ARG . 2.0 mt-10 -72.46 169.91 15.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.608 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.54 ' O ' ' N ' ' A' ' 31' ' ' CYS . 3.2 p -136.03 131.42 34.94 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.974 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.4 OUTLIER -78.74 125.33 29.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.924 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.774 ' OG ' HD23 ' A' ' 29' ' ' LEU . 58.5 p -104.98 -23.05 13.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.017 -179.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 167.63 -179.82 40.82 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.659 ' O ' HG13 ' A' ' 19' ' ' VAL . 3.4 p -96.36 116.15 37.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.686 ' N ' ' O ' ' A' ' 27' ' ' TYR . 2.3 m -73.87 174.52 8.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.566 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.54 ' N ' ' OE1' ' A' ' 21' ' ' GLU . 57.0 mp0 -143.63 105.48 4.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.914 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.481 HD12 ' CD2' ' A' ' 27' ' ' TYR . 74.3 mt -127.38 135.72 62.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 p 59.43 23.41 11.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.699 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.9 4.62 90.24 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 56.9 ttm-85 -108.65 152.92 24.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 110.694 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 2.5 mm? -78.25 131.79 37.26 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.697 -179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.686 ' O ' ' N ' ' A' ' 20' ' ' CYS . 9.1 m-85 -121.45 160.44 24.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.618 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 28' ' ' ARG . 7.0 mpt_? -100.75 129.27 46.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.268 -179.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.774 HD23 ' OG ' ' A' ' 17' ' ' SER . 40.4 tp -102.19 107.8 18.99 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.624 ' SG ' ' CZ ' ' A' ' 4' ' ' TYR . 25.6 p -112.63 146.64 38.27 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.541 179.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.54 ' N ' ' O ' ' A' ' 15' ' ' SER . 39.6 m -123.36 136.61 54.74 Favored 'General case' 0 N--CA 1.446 -0.647 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.147 -179.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.671 ' NH1' ' OE2' ' A' ' 14' ' ' GLU . 8.9 ptm180 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 stop_ save_