data_5aj1_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 5aj1 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HG3' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 31.6 Cg_exo -59.8 160.71 20.49 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.421 2.081 . . . . 0.0 111.995 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.456 HG22 HG13 ' A' ' 28' ' ' ILE . 17.8 m -72.85 117.28 16.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-O 121.193 0.52 . . . . 0.0 111.722 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.0 OUTLIER -111.17 150.35 29.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.931 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -149.81 168.29 24.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.939 0.399 . . . . 0.0 111.186 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -102.77 127.95 49.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.265 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -108.52 -21.3 12.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.418 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 2.4 mt-10 -128.16 143.97 51.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.001 0.429 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -12.14 28.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.943 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.16 2.37 27.91 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 111.882 0.326 . . . . 0.0 111.882 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.83 10.28 55.4 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.41 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.439 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.4 mt-10 -69.63 116.68 10.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.054 0.454 . . . . 0.0 110.604 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 5.7 m-85 -110.98 134.89 52.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.141 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.484 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 73.4 m-85 -123.96 166.67 15.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.467 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.411 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -132.54 147.69 52.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.431 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.456 HG13 HG22 ' A' ' 15' ' ' VAL . 17.6 mt -76.15 120.45 26.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.147 0.499 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.7 -28.81 47.51 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.936 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.9 m -61.49 -42.2 98.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.081 0.467 . . . . 0.0 109.828 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.86 -42.22 73.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.972 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.1 t -61.4 -40.88 87.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.308 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.43 -50.7 62.19 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.208 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.2 p30 -65.94 -32.8 74.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.988 0.423 . . . . 0.0 110.219 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.487 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.3 t80 -59.83 -43.03 94.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.768 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.25 -4.0 46.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 68.45 32.27 4.55 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.42 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.1 126.1 47.77 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -126.49 175.0 8.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.103 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 60.4 36.93 20.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.754 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.83 19.45 67.48 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -33.96 70.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.336 . . . . 0.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.87 -48.54 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -72.26 -38.99 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -30.08 66.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.759 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.69 -24.07 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.677 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 69.0 m-85 -122.64 74.03 43.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.929 0.395 . . . . 0.0 111.147 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.69 -32.1 92.78 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.951 2.434 . . . . 0.0 113.362 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.61 7.45 29.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.677 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.9 tp -84.07 129.34 34.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 0.0 111.19 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 68.5 t90 -69.86 116.31 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.841 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.52 138.43 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.698 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 12.5 ptt180 -154.52 166.1 34.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 111.247 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.96 147.98 22.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.526 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.18 142.05 31.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.385 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.427 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.1 p -71.97 167.54 19.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.152 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.6 -40.56 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.033 0.444 . . . . 0.0 110.315 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.07 -42.05 81.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.963 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -61.36 -45.29 95.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.503 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 56' ' ' THR . 6.5 mtm-85 -60.9 -42.32 97.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.388 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -57.58 -46.06 84.46 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 mttm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.064 178.668 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 31.6 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.855 0.36 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.3 p -94.86 119.66 33.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.49 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 mp -96.78 149.14 22.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 111.289 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mp -136.05 156.77 48.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.545 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.53 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 18.3 mmtt -72.28 122.05 20.45 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 110.704 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.88 -38.94 62.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -35.03 79.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.444 ' HG3' ' CE2' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -67.92 -49.39 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.015 0.436 . . . . 0.0 110.548 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.468 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 25.2 t -63.29 -43.67 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.442 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.2 -44.57 79.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.764 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.473 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.1 mm-40 -62.32 -48.37 80.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.053 0.454 . . . . 0.0 110.761 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -61.56 -39.18 82.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 13.6 mt -65.64 -35.79 81.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.843 178.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.81 -13.26 59.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.269 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.29 3.8 53.69 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.604 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.473 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 11.4 t30 -104.2 111.23 23.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.486 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 5.3 p-10 -168.31 19.0 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.49 -38.02 73.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.862 0.363 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -74.1 -21.06 60.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.486 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 24.7 m-85 -83.64 -33.13 25.34 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.817 0.341 . . . . 0.0 111.486 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.462 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -78.56 -32.19 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.73 -178.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.882 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.652 0.263 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.82 159.34 25.28 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.368 2.045 . . . . 0.0 112.14 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.455 HG22 HG13 ' A' ' 28' ' ' ILE . 16.0 m -72.78 116.43 14.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.433 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.44 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -112.64 147.88 35.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.043 179.77 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 16.5 p90 -147.57 167.92 23.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.915 0.388 . . . . 0.0 111.465 -179.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -102.98 127.97 49.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.239 179.485 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -107.61 -23.44 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.551 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 2.3 mm-40 -125.76 143.94 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.979 0.418 . . . . 0.0 111.318 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.05 -12.11 24.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.951 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -81.1 3.25 24.06 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.94 11.63 54.42 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.368 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -70.07 116.79 10.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.027 0.441 . . . . 0.0 110.7 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.448 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.1 m-85 -112.05 134.29 53.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.102 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 78.1 m-85 -125.02 166.55 16.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.663 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.44 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.22 148.71 52.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.44 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 89' ' ' THR . 15.3 mt -78.59 122.25 33.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.091 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.97 -26.66 42.31 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.981 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 p -62.78 -42.21 99.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.15 0.5 . . . . 0.0 109.881 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.11 -42.66 68.98 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.007 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.22 -40.8 87.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.347 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.67 -50.77 59.26 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.287 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.5 p30 -66.43 -33.1 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.261 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.489 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.7 t80 -61.12 -42.87 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.859 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -94.02 -4.51 49.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.93 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.57 32.47 4.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.504 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.0 mtp -100.99 126.05 47.64 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -126.75 175.0 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.223 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.48 39.49 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.27 19.58 62.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.398 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -60.15 -33.83 72.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.49 -52.07 55.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -68.22 -39.04 82.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.011 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -70.31 -33.93 72.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.642 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -84.94 -17.91 36.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.067 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.537 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.5 m-85 -130.36 68.16 80.93 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.55 -32.31 79.84 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.536 2.158 . . . . 0.0 113.037 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 t -78.11 -1.18 31.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.559 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.537 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 9.0 tp -78.12 139.96 39.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.857 0.36 . . . . 0.0 111.185 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.522 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 70.2 t90 -79.01 117.38 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.63 138.85 36.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.456 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -153.05 146.57 25.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.838 0.351 . . . . 0.0 111.295 179.6 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.94 153.16 41.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.627 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.19 137.06 43.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.53 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.2 p -71.99 171.37 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.371 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 31.9 t -61.39 -37.7 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.995 0.426 . . . . 0.0 110.648 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -70.29 -51.01 33.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.612 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -61.28 -46.22 91.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 9.6 ptp180 -60.81 -41.97 96.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -45.0 87.6 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mttp . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.084 178.758 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.4 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.348 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -95.45 125.92 40.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.602 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 mp -101.85 147.05 26.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.399 . . . . 0.0 111.313 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.55 156.53 48.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.753 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.522 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.6 mmtp -74.37 121.13 20.9 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.913 0.387 . . . . 0.0 111.024 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.63 -47.04 50.03 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.622 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.2 p -60.66 -37.19 80.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.427 ' OE2' ' CE1' ' A' ' 107' ' ' TYR . 10.3 mt-10 -68.98 -49.21 59.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 110.807 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.435 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 17.2 t -61.45 -49.28 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.105 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -55.13 -39.74 69.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.808 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.59 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.8 mm-40 -62.11 -48.55 79.66 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.231 0.538 . . . . 0.0 110.499 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.8 mt -61.89 -39.11 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.733 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 29.1 mt -66.75 -33.66 76.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.026 178.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -77.75 -14.58 59.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.957 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.64 3.81 52.61 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.624 -0.717 . . . . 0.0 112.589 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.59 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 2.0 t30 -104.22 111.43 24.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.496 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 8.0 p-10 -168.64 18.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.93 -37.67 71.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.908 0.385 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.401 ' HE2' ' CE1' ' A' ' 107' ' ' TYR . 9.0 ptmt -74.08 -22.87 59.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.136 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.496 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 25.1 m-85 -81.9 -33.13 30.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.492 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -79.18 -30.55 43.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.355 -178.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -178.888 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.452 ' HD3' ' CD1' ' A' ' 100' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD3' ' CD1' ' A' ' 35' ' ' TYR . 26.6 Cg_exo -63.2 159.3 39.9 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.635 2.223 . . . . 0.0 112.116 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.418 HG22 ' CD1' ' A' ' 28' ' ' ILE . 31.0 m -72.72 118.56 18.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.273 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.86 154.88 20.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.698 -179.535 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -153.29 169.34 23.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.64 127.98 49.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.464 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 68.4 mt -103.53 -31.08 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.048 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.0 147.78 46.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.016 0.436 . . . . 0.0 111.176 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.05 -11.81 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.857 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -81.06 3.53 22.94 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.38 19.47 27.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.36 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.88 117.0 18.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.546 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.404 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.6 m-85 -112.08 132.28 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.349 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 77.8 m-85 -124.03 166.53 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.606 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.403 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.37 148.12 52.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.55 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.418 ' CD1' HG22 ' A' ' 15' ' ' VAL . 18.5 mt -72.14 121.38 22.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.259 0.552 . . . . 0.0 111.258 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.84 -33.38 56.12 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.784 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -40.45 88.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.209 0.528 . . . . 0.0 109.808 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.429 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 3.1 mm-40 -66.45 -45.06 81.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.687 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.48 -40.42 84.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.196 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.56 -50.22 69.14 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.91 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 18.4 p30 -62.7 -32.77 73.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.048 0.451 . . . . 0.0 110.133 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.472 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -59.61 -43.59 93.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.563 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mp -99.96 1.4 42.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.635 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.01 26.72 7.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.357 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.5 mtt -101.01 125.98 47.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.252 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -126.84 174.75 8.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 55.41 36.49 27.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.51 22.59 78.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.497 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.71 -33.89 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.97 -52.01 58.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -65.26 -37.42 87.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.981 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -65.99 -34.21 77.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -92.43 -11.62 34.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.214 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.503 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 72.8 m-85 -133.03 66.73 76.61 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.69 0.281 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.73 -32.02 78.51 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.506 2.137 . . . . 0.0 112.813 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.446 ' CB ' ' HA ' ' A' ' 107' ' ' TYR . 0.6 OUTLIER -76.51 -1.36 26.91 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 3.2 tp -82.32 132.94 35.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.563 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.6 t90 -69.98 122.0 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.41 138.79 36.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.883 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.481 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 9.2 mtm180 -151.63 166.21 31.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.158 0.504 . . . . 0.0 111.893 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.75 150.37 21.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.444 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.413 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . . . -83.53 121.88 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.08 0.467 . . . . 0.0 112.166 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 p -71.98 171.88 11.03 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.706 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 21.0 t -55.73 -40.89 63.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.125 0.488 . . . . 0.0 110.794 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -47.11 63.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.301 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 86.4 mt-10 -60.11 -45.25 93.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.077 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 1.1 ptm180 -60.94 -45.43 94.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.722 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -57.73 -38.38 75.21 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.795 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.467 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 6.5 mttt . . . . . 0 N--CA 1.45 -0.425 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.695 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.413 ' HB ' ' CB ' ' A' ' 55' ' ' ALA . 3.9 t . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.819 0.342 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.13 122.48 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.613 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 mp -108.69 149.03 29.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 mp -136.07 156.68 48.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.732 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.563 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 7.6 mmtt -77.13 122.47 25.04 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.889 0.376 . . . . 0.0 110.764 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.25 -32.87 17.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.193 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.29 -42.58 96.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.428 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 2.4 mm-40 -67.13 -49.23 65.59 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.973 0.416 . . . . 0.0 110.602 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 14.7 t -61.44 -50.25 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.605 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -54.8 -39.83 68.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.932 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.627 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.4 mm-40 -62.83 -48.32 79.57 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.217 0.532 . . . . 0.0 110.688 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -61.88 -39.41 83.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.761 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.452 ' CD1' ' HD3' ' A' ' 13' ' ' LYS . 15.3 mt -65.57 -34.43 78.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.039 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -14.68 59.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.916 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.45 3.76 53.2 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.425 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 12.4 t30 -104.2 111.31 23.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.527 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 18.2 p-10 -165.84 15.06 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -56.1 -39.22 71.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -68.87 -26.32 65.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.749 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.527 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 18.8 m-85 -82.21 -38.42 24.58 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.561 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -75.13 -17.67 60.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.51 -179.129 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -178.825 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 14' ' ' PRO . 4.4 tppp? . . . . . 0 CA--C 1.528 0.127 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.409 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 32.0 Cg_exo -59.82 158.27 29.61 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.324 2.016 . . . . 0.0 112.071 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.419 HG22 HG13 ' A' ' 28' ' ' ILE . 12.6 m -72.76 119.21 19.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.26 0.552 . . . . 0.0 111.786 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.15 160.3 18.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.933 179.383 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -158.81 168.04 27.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.938 0.399 . . . . 0.0 111.291 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.84 128.01 49.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.507 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mt -107.64 -22.52 12.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.208 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 3.4 mm-40 -127.02 143.92 51.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.956 0.408 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -65.72 -11.87 49.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.739 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -81.1 0.51 35.8 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.37 26.01 9.71 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.239 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 17.1 mm-40 -84.31 116.87 23.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.876 0.338 . . . . 0.0 110.67 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.5 m-85 -111.68 134.12 53.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 111.023 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 88.0 m-85 -124.95 166.52 16.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.482 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.416 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -132.75 147.21 52.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.547 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.419 HG13 HG22 ' A' ' 15' ' ' VAL . 12.3 mt -77.86 121.21 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.109 0.481 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.91 -26.43 41.02 Favored Glycine 0 C--N 1.333 0.372 0 CA-C-N 115.83 -0.623 . . . . 0.0 113.039 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.11 -42.51 99.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.084 0.469 . . . . 0.0 109.899 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.35 -41.45 69.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.071 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.8 t -62.59 -40.74 89.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.377 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.71 -50.75 59.26 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.357 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.0 p30 -64.97 -32.99 74.98 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.03 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.5 t80 -61.37 -42.95 99.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.768 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.91 -4.13 53.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.945 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 68.75 31.85 4.32 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.547 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.4 mmm -101.61 126.18 48.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.085 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -126.6 174.97 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.126 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.74 33.76 23.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.804 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.13 19.11 79.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.493 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -58.37 -33.82 70.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.769 0.319 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tp -64.83 -49.24 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.753 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -71.45 -35.14 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.779 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -34.74 75.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.324 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -86.71 -18.48 31.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.73 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.498 ' CE1' ' HG2' ' A' ' 108' ' ' LYS . 99.4 m-85 -135.18 60.73 41.4 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 21.0 Cg_exo -64.96 -28.16 58.07 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.367 2.045 . . . . 0.0 112.62 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -3.77 45.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.6 tp -75.55 140.54 42.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.529 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.526 ' CH2' ' CE2' ' A' ' 26' ' ' TYR . 78.0 t90 -69.29 122.29 18.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.767 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.12 138.63 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.783 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 4.5 mtt-85 -149.69 166.03 30.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.195 0.522 . . . . 0.0 111.639 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.13 151.88 19.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.41 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.406 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . . . -107.62 133.74 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.049 0.452 . . . . 0.0 111.715 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 p -71.91 171.38 11.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.445 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.567 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 37.7 t -59.52 -33.45 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.152 0.501 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -70.48 -46.81 63.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.724 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -62.66 -47.83 81.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.96 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -60.77 -39.03 87.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.201 179.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -48.17 80.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.304 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.406 ' HB ' ' CB ' ' A' ' 55' ' ' ALA . 12.6 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.776 0.322 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.1 p -90.89 114.46 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.232 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 mp -96.91 147.22 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.07 0.462 . . . . 0.0 111.626 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.0 mp -135.27 156.32 49.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.484 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.49 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 15.6 mmtt -69.99 121.59 17.7 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.867 0.365 . . . . 0.0 110.824 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.89 -50.39 57.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.5 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 98' ' ' GLU . 39.5 p -56.53 -33.91 66.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.078 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.458 ' HG2' ' CE2' ' A' ' 107' ' ' TYR . 19.4 mt-10 -67.58 -49.47 63.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.921 0.391 . . . . 0.0 110.791 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.54 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 11.2 t -63.38 -34.8 69.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.314 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -45.1 95.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.326 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 1.7 mt-10 -62.03 -48.29 80.96 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.383 0.611 . . . . 0.0 110.673 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.435 HG22 ' CZ ' ' A' ' 47' ' ' TYR . 3.6 mt -61.68 -38.94 81.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.695 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 14.6 mt -65.75 -35.31 80.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.55 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.55 -15.88 58.99 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.209 0.528 . . . . 0.0 109.795 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.89 3.06 52.26 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.57 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.439 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 18.5 p-10 -105.15 110.68 23.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 22.5 p30 -160.13 8.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.405 ' HA ' ' HG3' ' A' ' 108' ' ' LYS . 8.8 mt-10 -51.67 -31.91 27.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.688 0.28 . . . . 0.0 111.403 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.429 ' HD2' ' CZ ' ' A' ' 107' ' ' TYR . 1.8 ptpp? -67.97 -33.74 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.458 ' CE2' ' HG2' ' A' ' 95' ' ' GLU . 19.5 m-85 -81.06 -31.08 34.61 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.498 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -84.86 -5.83 59.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.736 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.955 -179.051 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.444 ' HD2' ' CD1' ' A' ' 100' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.128 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 24.1 Cg_exo -64.43 160.22 40.4 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.596 2.197 . . . . 0.0 112.288 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 31' ' ' GLU . 26.4 m -72.66 117.8 16.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.271 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.67 156.74 18.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.587 -179.358 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -155.4 166.48 33.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.85 127.86 49.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.384 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mt -108.94 -25.72 10.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.171 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -120.1 143.84 47.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.892 0.377 . . . . 0.0 111.013 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -66.69 -12.06 56.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.713 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -81.33 -0.02 39.18 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.1 25.98 9.18 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.432 -0.89 . . . . 0.0 113.135 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -82.32 116.73 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 0.0 110.573 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.431 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 7.1 m-85 -111.0 131.75 54.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.172 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.531 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 88.2 m-85 -124.63 166.5 16.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.662 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -130.99 148.79 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.42 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.4 mt -75.44 123.31 31.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-O 121.333 0.587 . . . . 0.0 111.238 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.9 -29.94 52.12 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.891 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.7 m -61.88 -41.27 97.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.213 0.53 . . . . 0.0 109.828 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 3.1 mm-40 -67.52 -44.68 77.83 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.812 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.79 -40.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.089 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.22 69.2 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.968 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 18.8 p30 -62.64 -32.88 74.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.424 . . . . 0.0 110.118 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -59.55 -43.51 93.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.474 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -99.61 1.29 43.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.687 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.73 26.35 9.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.39 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 125.93 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.32 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -126.9 174.43 8.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 54.75 43.4 30.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.967 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.86 21.74 71.56 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.554 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -66.4 -33.78 76.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.821 0.343 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tp -64.84 -50.71 65.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.761 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -66.36 -36.45 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -37.64 88.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.608 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.36 -12.75 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.167 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.447 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.6 m-85 -135.36 62.76 52.1 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.746 0.308 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 39.4 Cg_exo -60.5 -31.98 93.09 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.661 2.241 . . . . 0.0 112.913 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -14.88 61.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.453 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 3.6 tp -67.2 132.97 48.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 111.115 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.575 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 68.1 t90 -69.84 117.3 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.56 138.89 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 6.4 ptt180 -152.84 156.63 39.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.841 0.353 . . . . 0.0 111.208 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.86 153.09 27.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.405 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . . . -108.85 135.35 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.03 0.443 . . . . 0.0 111.627 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.424 ' N ' ' HB2' ' A' ' 59' ' ' GLU . 6.2 p -74.84 171.42 14.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.807 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 39.5 t -54.3 -49.24 65.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.333 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.09 -38.31 88.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.208 0.528 . . . . 0.0 109.684 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HB2' ' N ' ' A' ' 56' ' ' THR . 17.7 mt-10 -61.27 -46.92 88.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.758 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -60.88 -38.4 85.51 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.672 0.272 . . . . 0.0 110.299 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.503 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 10.5 mttp -58.17 -48.71 79.43 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.352 178.926 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.405 ' HB ' ' CB ' ' A' ' 55' ' ' ALA . 29.0 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.765 0.317 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.7 p -90.85 121.06 32.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.684 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 mp -101.82 146.07 28.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mp -136.49 150.47 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.398 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.575 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 5.5 mmmt -73.67 122.44 22.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.896 0.379 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.83 -34.02 18.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.362 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.4 m -63.1 -42.65 99.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.436 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 1.5 mm-40 -68.01 -49.42 61.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.913 0.387 . . . . 0.0 110.694 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.437 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 21.4 t -61.82 -50.09 81.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.825 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -54.73 -42.18 71.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.741 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.524 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -60.82 -48.54 81.34 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.983 0.42 . . . . 0.0 110.938 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mt -61.97 -39.26 83.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.449 HD23 ' CE2' ' A' ' 35' ' ' TYR . 6.5 mt -63.91 -36.97 85.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.094 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -77.38 -14.06 59.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.24 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.33 3.83 53.53 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.557 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.524 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -104.16 110.86 23.21 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 177.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.479 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 14.0 p-10 -164.21 15.59 0.05 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.81 -44.1 69.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.999 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -29.44 70.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.552 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 18.4 m-85 -80.24 -43.93 20.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.358 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -69.5 -11.96 61.26 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.135 -179.688 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.209 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.558 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? . . . . . 0 C--O 1.231 0.105 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 27.0 Cg_exo -60.23 162.32 17.38 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.124 1.883 . . . . 0.0 111.679 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.41 HG22 HG13 ' A' ' 28' ' ' ILE . 24.3 m -75.86 120.87 26.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.366 0.603 . . . . 0.0 112.282 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -114.03 152.04 31.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.712 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -152.41 169.23 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 111.262 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.459 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -102.92 128.2 49.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.379 179.691 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -109.03 -19.87 13.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.459 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 3.1 mm-40 -129.24 143.96 51.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 111.212 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.56 -12.02 29.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.989 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -81.22 3.08 25.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.3 10.21 56.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.541 -0.838 . . . . 0.0 113.359 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 2.0 tt0 -69.22 116.7 9.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.766 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 5.4 m-85 -111.32 132.86 54.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.206 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.508 ' CE2' ' HD3' ' A' ' 92' ' ' LYS . 85.4 m-85 -122.85 166.58 14.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.617 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.479 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 6.3 mtm -133.81 148.28 51.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.452 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.41 HG13 HG22 ' A' ' 15' ' ' VAL . 11.5 mt -75.0 119.29 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.082 0.468 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.61 -32.06 53.36 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.78 -0.646 . . . . 0.0 113.111 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.6 p -62.48 -39.64 94.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 2.7 mm-40 -69.08 -40.49 78.4 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.055 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 t -66.03 -40.76 88.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.472 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.0 -50.75 64.06 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.402 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 9.2 p30 -65.26 -33.07 75.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.031 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.413 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.0 t80 -59.82 -42.78 94.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.719 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -95.27 -3.41 47.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.883 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.61 29.69 5.35 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.289 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -102.28 126.07 49.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.14 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -126.59 175.13 8.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 58.72 42.74 19.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.005 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.37 25.08 62.26 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.426 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -64.99 -33.9 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.81 -45.74 84.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -70.54 -39.14 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -41.31 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.749 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.406 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -75.19 -28.06 59.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.882 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.518 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 58.9 m-85 -125.56 73.83 68.88 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.69 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.39 -29.14 62.87 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.543 2.162 . . . . 0.0 112.277 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.15 -2.65 45.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.435 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.3 tp -78.84 131.69 36.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 111.246 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.593 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 71.4 t90 -69.97 116.15 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -139.6 138.34 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.697 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.593 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.56 163.31 40.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 111.586 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.26 135.37 38.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.459 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.96 143.48 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.957 0.408 . . . . 0.0 111.644 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.9 p -72.98 168.49 18.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.095 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.7 t -53.64 -39.34 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.181 0.515 . . . . 0.0 110.326 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -68.33 -44.39 75.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.073 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.51 -44.19 96.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.601 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 56' ' ' THR . 7.0 mtm-85 -61.02 -43.54 98.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.436 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -44.52 85.84 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.971 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.2 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.855 0.36 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.9 131.39 36.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.307 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.12 145.2 41.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.025 0.44 . . . . 0.0 111.54 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 mp -136.36 154.07 50.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.467 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.56 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 13.7 mmtt -76.31 122.27 24.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 110.792 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.94 -32.84 22.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.98 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 7.6 t -64.19 -42.54 96.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.446 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 1.8 mm-40 -67.1 -49.28 65.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 7.1 t -62.82 -40.41 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.886 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.43 -45.62 91.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.723 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.1 mm-40 -61.41 -48.01 83.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mt -61.4 -39.28 82.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.974 0.416 . . . . 0.0 109.91 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 12.2 mt -65.4 -35.67 81.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.837 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -77.89 -13.11 59.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.227 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.18 3.86 53.98 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.702 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.462 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 55.9 t30 -104.31 111.18 23.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.515 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.8 p-10 -164.87 15.96 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.388 -0.525 . . . . 0.0 112.407 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.51 -43.88 76.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.932 0.396 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -25.38 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 16.9 m-85 -83.75 -46.03 12.69 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.355 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -66.09 -14.58 61.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.373 -179.422 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.164 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.04 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 14' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.712 0.291 . . . . 0.0 110.227 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.413 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 31.6 Cg_exo -59.74 156.96 34.9 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.334 2.023 . . . . 0.0 112.069 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.41 HG22 HG13 ' A' ' 28' ' ' ILE . 14.2 m -72.87 116.1 14.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.549 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -108.55 155.83 20.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.872 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -152.92 167.65 28.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.421 . . . . 0.0 111.45 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.416 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -103.06 127.92 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.436 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.1 mt -108.78 -25.95 10.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.085 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -120.67 143.88 48.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -66.53 -12.18 56.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.714 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -0.16 39.88 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.58 22.88 10.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.094 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -78.56 116.87 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.547 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 7.1 m-85 -111.6 133.72 53.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.053 0.454 . . . . 0.0 111.03 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 82.1 m-85 -124.84 166.67 15.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.475 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.422 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.62 145.35 51.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.478 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.41 HG13 HG22 ' A' ' 15' ' ' VAL . 13.2 mt -75.46 121.9 28.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.733 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.77 -27.33 43.13 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.035 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.73 -42.31 99.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.17 0.509 . . . . 0.0 109.941 179.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG3' ' CG2' ' A' ' 15' ' ' VAL . 2.7 mm-40 -70.83 -43.27 68.9 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.18 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.51 -40.67 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.5 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.48 -50.72 60.04 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 20.0 p30 -66.63 -33.03 74.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.002 0.43 . . . . 0.0 110.381 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.463 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.3 t80 -60.89 -42.9 98.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.782 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -94.82 -4.1 47.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 68.66 31.1 4.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.527 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.7 mmt -101.35 126.1 48.07 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.77 175.04 8.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.171 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 57.84 44.41 20.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.809 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.28 19.53 46.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -57.42 -33.9 68.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.87 -52.06 58.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -68.69 -38.56 80.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -33.57 73.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -88.96 -17.71 28.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.27 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.451 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 89.6 m-85 -131.17 69.36 82.27 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.0 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.58 -32.13 79.65 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.645 2.23 . . . . 0.0 112.801 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.69 -5.06 43.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.395 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 4.0 tp -77.03 134.79 38.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 111.083 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.644 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 64.8 t90 -75.93 120.23 20.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.7 138.56 36.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.839 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.644 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.16 158.04 39.76 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 111.495 179.413 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.53 136.7 33.3 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.9 133.91 33.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.061 0.457 . . . . 0.0 111.838 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 p -72.68 171.5 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.38 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 24.5 t -53.89 -49.29 60.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.104 0.478 . . . . 0.0 110.445 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.56 -41.2 98.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.765 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.61 -45.23 92.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.68 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -60.86 -38.72 86.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.739 0.304 . . . . 0.0 110.231 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 9.5 mttp -58.26 -48.5 80.23 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 mttt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.419 178.935 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.0 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.822 0.344 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 p -92.0 116.72 29.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 53' ' ' ARG . 2.3 mp -100.54 147.4 25.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mp -134.31 157.07 47.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.555 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.507 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.1 mmtp -73.15 121.88 20.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.863 0.364 . . . . 0.0 110.717 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.17 -43.18 52.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.518 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.45 -37.8 82.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.441 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -68.22 -49.37 61.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.43 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 21.3 t -62.3 -50.89 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -38.53 67.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.838 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.617 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.4 mm-40 -63.09 -48.85 76.85 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.267 0.556 . . . . 0.0 110.448 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mt -62.91 -39.19 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 18.2 mt -65.24 -34.39 78.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.905 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.82 -15.21 59.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.933 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.41 3.95 53.23 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.519 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.617 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 8.4 t30 -104.41 111.24 23.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.474 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 13.9 p-10 -164.41 14.05 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -55.24 -38.14 68.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.796 0.331 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.415 ' HE2' ' CE1' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -68.71 -28.41 66.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 23.7 m-85 -80.19 -46.12 16.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.408 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -65.15 -14.97 61.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.5 -179.157 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.046 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HG3' ' HD2' ' A' ' 14' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.093 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.402 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 31.5 Cg_exo -59.71 156.79 35.68 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.264 1.976 . . . . 0.0 111.76 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.402 HG22 HG13 ' A' ' 28' ' ' ILE . 13.6 m -72.75 118.23 17.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 CA-C-O 121.22 0.533 . . . . 0.0 111.62 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.58 159.93 17.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.759 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.427 ' CZ ' HD22 ' A' ' 90' ' ' LEU . 16.4 p90 -159.26 169.14 24.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.901 0.381 . . . . 0.0 111.292 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.461 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.99 128.41 49.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.598 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.414 ' CD1' HD23 ' A' ' 90' ' ' LEU . 4.3 mt -109.04 -17.13 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.489 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 11.7 mm-40 -132.47 143.87 50.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -65.07 -11.91 44.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.852 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.17 1.53 31.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.86 26.01 12.28 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.296 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.2 mt-10 -84.97 116.8 23.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.351 . . . . 0.0 110.599 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.461 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -110.81 132.32 54.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.223 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 87.0 m-85 -123.47 166.59 15.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.52 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.416 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -131.63 150.89 52.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.305 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.402 HG13 HG22 ' A' ' 15' ' ' VAL . 12.0 mt -78.97 121.84 32.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.008 0.432 . . . . 0.0 110.89 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.84 -32.48 55.36 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.906 -0.588 . . . . 0.0 113.065 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.6 m -60.86 -39.69 90.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.094 0.473 . . . . 0.0 109.926 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.82 -43.58 71.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.2 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.43 -40.91 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.551 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.25 -50.65 63.02 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 11.1 p30 -66.43 -33.05 74.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.032 0.444 . . . . 0.0 110.252 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.436 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.4 t80 -59.69 -43.11 94.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.82 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.13 -4.32 46.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 68.53 32.18 4.49 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.496 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 33.6 mtp -101.49 126.14 48.24 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -126.73 174.88 8.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.193 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 55.59 44.19 27.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.99 18.83 58.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.446 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -60.27 -34.05 73.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.875 0.369 . . . . 0.0 110.819 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.99 -52.08 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.415 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 11.1 m-85 -65.5 -39.01 91.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.81 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -41.9 98.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.73 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.66 -15.32 52.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.122 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.504 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 68.7 m-85 -133.78 66.74 73.68 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.77 -30.33 77.92 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.595 2.196 . . . . 0.0 112.632 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.34 3.81 19.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.537 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 9.2 tp -80.04 132.31 35.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.853 0.359 . . . . 0.0 111.277 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 68.5 t90 -71.19 116.2 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.415 ' HD3' ' CD2' ' A' ' 44' ' ' TYR . 46.8 ptt85 -139.5 138.71 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.179 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.488 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -154.35 150.29 27.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.163 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 137.98 36.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.413 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.67 136.3 33.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.467 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.47 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.5 p -71.95 166.25 22.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.421 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.51 -41.25 44.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.009 0.433 . . . . 0.0 110.513 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.35 -43.87 84.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.837 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.93 -44.48 94.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.442 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 56' ' ' THR . 36.8 mtm-85 -60.99 -40.2 92.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.286 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -57.69 -48.58 79.13 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.123 178.687 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.7 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.865 0.364 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.6 p -90.87 129.49 36.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.016 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.427 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -104.71 144.55 31.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.079 0.466 . . . . 0.0 111.639 -179.19 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.6 mp -140.98 150.53 43.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.287 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.568 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 3.6 mmmp? -77.59 122.34 25.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.86 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.49 -32.85 19.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.234 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 82.8 p -63.82 -42.68 97.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 1.2 mm-40 -68.08 -49.39 61.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 110.663 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.439 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 3.9 t -62.65 -51.24 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.661 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.02 -38.75 68.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.82 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.634 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.2 mm-40 -63.0 -48.79 77.3 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.223 0.535 . . . . 0.0 110.564 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.72 -39.35 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 19.1 mt -65.41 -34.28 77.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.055 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.72 -15.34 59.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.853 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.47 3.68 53.2 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.481 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.634 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 6.8 t30 -104.5 111.13 23.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.453 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 8.0 p-10 -165.2 14.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -54.98 -38.57 67.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.83 0.347 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -67.76 -29.44 68.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.691 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.453 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.5 m-85 -78.83 -38.49 37.93 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.228 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -76.17 -6.82 53.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.078 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.163 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.306 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.693 0.282 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.412 ' CB ' ' HB3' ' A' ' 31' ' ' GLU . 11.0 Cg_endo -59.55 162.48 15.0 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.383 2.056 . . . . 0.0 112.114 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.508 HG22 HG13 ' A' ' 28' ' ' ILE . 12.9 m -72.34 119.12 18.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 121.453 0.644 . . . . 0.0 112.405 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -115.72 154.33 29.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.28 178.736 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -156.7 169.22 25.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.991 0.424 . . . . 0.0 111.663 -179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.437 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.91 129.96 49.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.216 179.391 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -109.64 -18.35 13.5 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 4.8 mm-40 -133.06 145.73 51.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.059 0.457 . . . . 0.0 111.378 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -63.57 -11.88 28.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.043 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -80.9 1.24 31.76 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.63 23.06 22.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.382 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 3.7 mt-10 -80.46 116.72 20.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 0.0 110.606 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.437 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.7 m-85 -110.05 134.59 51.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 91.9 m-85 -128.7 166.56 18.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.551 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.407 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.93 146.96 51.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.389 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.508 HG13 HG22 ' A' ' 15' ' ' VAL . 19.0 mt -73.28 121.71 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.652 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.5 -33.13 53.62 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.13 -0.557 . . . . 0.0 113.163 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.5 p -63.23 -38.56 91.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.125 0.488 . . . . 0.0 110.048 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 3.2 mm-40 -71.73 -43.5 65.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.444 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.89 -40.74 90.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.073 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.26 -50.45 67.47 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.027 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 19.4 p30 -62.51 -33.21 74.43 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.137 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.485 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.7 t80 -61.27 -43.07 99.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.781 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -91.85 -3.49 56.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.892 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.43 29.97 5.53 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.301 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.5 mtt -101.12 126.35 47.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.117 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -126.56 172.5 10.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.123 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? 57.74 44.16 20.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.57 21.5 62.73 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.361 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -61.57 -33.98 74.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.766 0.317 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.84 -49.47 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -71.79 -30.45 65.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -41.37 71.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.405 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -81.06 -20.83 40.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.839 179.547 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.584 ' CE1' ' HG2' ' A' ' 108' ' ' LYS . 25.8 m-85 -127.9 62.56 57.34 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.429 ' HD3' ' C ' ' A' ' 46' ' ' ARG . 32.9 Cg_exo -62.73 -23.49 74.53 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.41 2.074 . . . . 0.0 112.913 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 p -87.32 8.04 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 2.5 tp -89.46 140.13 29.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 111.117 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 70.9 t90 -69.92 119.34 13.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.43 138.16 36.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.582 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.535 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.53 157.58 38.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.301 . . . . 0.0 111.307 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.4 130.74 44.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.706 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.25 149.09 28.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.437 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 16.8 p -71.89 167.47 19.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.278 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.0 t -53.49 -36.79 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.165 0.507 . . . . 0.0 110.144 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.77 -42.83 73.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.843 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.31 -45.81 92.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.512 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 56' ' ' THR . 8.0 mtm-85 -60.96 -41.94 97.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.423 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -57.72 -45.12 86.21 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.061 178.84 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.8 t . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.882 0.372 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.443 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 36.1 p -90.98 134.22 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.073 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mp -114.07 146.41 40.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.998 0.427 . . . . 0.0 111.882 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.6 mt -134.18 154.47 51.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.392 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.523 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.1 mmtp -71.41 121.41 18.53 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.934 0.397 . . . . 0.0 110.946 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.16 -53.17 22.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.857 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.6 m -56.76 -34.1 67.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.422 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 6.0 mt-10 -68.64 -49.16 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 0.0 110.755 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.465 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 12.8 t -63.76 -40.23 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.248 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.1 -44.71 87.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.805 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.0 mm-40 -63.15 -48.05 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.627 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.422 HG22 ' CE1' ' A' ' 47' ' ' TYR . 5.0 mt -61.13 -39.04 81.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 15.6 mt -67.32 -35.05 78.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.025 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -77.82 -12.51 59.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.31 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.39 3.55 53.52 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.695 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 7.9 t30 -104.39 110.86 23.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.425 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.1 p-10 -169.62 19.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.327 -0.549 . . . . 0.0 112.457 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.75 -33.41 68.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.151 0.501 . . . . 0.0 109.983 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -74.31 -27.76 60.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.736 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 27.4 m-85 -81.92 -32.79 30.72 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.109 0.48 . . . . 0.0 110.524 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 12.1 mtpt -88.62 -7.58 56.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.258 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.28 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.682 0.277 . . . . 0.0 110.281 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.94 158.48 29.25 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.395 2.064 . . . . 0.0 112.15 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.403 ' CG2' ' HG3' ' A' ' 31' ' ' GLU . 17.4 m -72.85 116.99 15.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.639 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -108.75 159.45 16.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.749 179.276 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.429 ' CZ ' HD22 ' A' ' 90' ' ' LEU . 26.0 p90 -156.8 166.03 34.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 0.0 111.38 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.93 127.84 49.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.58 179.691 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mt -107.28 -27.12 10.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.028 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.7 143.92 48.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.37 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.25 -12.03 53.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.807 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -81.11 -0.44 40.08 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.28 26.02 8.51 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.239 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.62 116.95 22.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 110.492 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.5 m-85 -112.16 132.15 55.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.375 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 82.5 m-85 -122.99 166.67 14.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.494 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -132.2 147.81 52.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.465 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.402 ' CD1' HG22 ' A' ' 15' ' ' VAL . 12.6 mt -78.26 122.07 32.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.013 0.435 . . . . 0.0 110.904 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.8 -26.22 39.49 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 115.903 -0.589 . . . . 0.0 113.026 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 p -62.56 -42.96 99.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.242 0.544 . . . . 0.0 109.843 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' CG2' ' A' ' 15' ' ' VAL . 2.3 mm-40 -71.32 -41.45 69.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.091 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.0 t -61.76 -40.9 88.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.387 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.88 -50.74 58.98 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.349 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.1 p30 -64.95 -32.95 74.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.131 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.494 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.4 t80 -61.62 -42.88 99.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.829 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.96 -3.91 53.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.969 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.78 30.86 4.67 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.842 0.353 . . . . 0.0 111.319 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.0 mtt -103.28 126.2 50.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.112 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.71 175.04 8.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.168 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 58.53 42.87 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.761 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.5 20.79 52.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -61.6 -33.96 74.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tp -64.97 -51.98 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.798 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -64.8 -37.13 86.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -39.63 77.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.646 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -82.82 -12.94 57.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.079 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.577 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 73.1 m-85 -134.89 63.42 58.08 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.032 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 35.2 Cg_exo -62.34 -31.69 81.53 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.729 2.286 . . . . 0.0 112.757 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -5.26 48.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.757 0.313 . . . . 0.0 111.326 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.577 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 8.8 tp -74.47 134.09 42.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.221 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 67.9 t90 -70.01 115.06 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.664 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -139.56 138.14 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.721 0.295 . . . . 0.0 110.986 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.454 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -154.72 166.06 34.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.005 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.41 142.64 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.555 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.29 141.75 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.413 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.533 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.3 p -71.81 166.89 21.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.893 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.9 t -53.32 -39.07 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 110.525 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 1.1 mp0 -69.77 -42.42 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.124 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -63.62 -40.7 97.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.814 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 56' ' ' THR . 11.1 mtm-85 -63.83 -46.17 86.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.599 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -57.92 -43.36 86.21 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.468 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 121.139 0.495 . . . . 0.0 110.024 178.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 55.3 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.848 0.356 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.2 p -91.04 117.7 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.429 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 2.0 mp -96.95 149.5 21.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.178 0.513 . . . . 0.0 111.565 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.414 ' CD2' ' CD2' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -138.57 149.66 45.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.924 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.572 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 6.8 mmtt -71.98 121.96 20.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.078 0.466 . . . . 0.0 110.918 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.07 -32.9 23.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 p -63.8 -42.63 97.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 1.0 OUTLIER -67.89 -49.39 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.519 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 22.9 t -61.43 -46.59 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.656 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.21 -44.89 75.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.957 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.55 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 8.4 mm-40 -61.15 -48.03 83.46 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.998 0.428 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.2 mt -61.31 -39.14 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 16.1 mt -65.23 -35.75 82.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.955 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.95 -13.41 59.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.158 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.24 3.73 53.88 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.622 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 5.3 t30 -104.3 111.33 23.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.498 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 6.8 p-10 -166.62 16.71 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.282 -0.567 . . . . 0.0 112.52 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -56.05 -37.71 69.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.877 0.37 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -26.63 64.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.814 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.498 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 20.0 m-85 -81.58 -30.54 32.96 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.331 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.45 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -85.47 -8.39 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.158 -179.538 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.151 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.134 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.418 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 31.8 Cg_exo -59.4 157.26 31.89 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.227 1.952 . . . . 0.0 111.681 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.438 ' CG2' ' HG3' ' A' ' 31' ' ' GLU . 11.4 m -72.58 115.68 13.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-O 121.443 0.639 . . . . 0.0 111.85 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.74 163.18 13.49 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.462 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.4 p90 -160.2 159.22 31.32 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.527 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 2.9 tt0 -102.38 127.09 49.53 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.215 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 mt -91.8 -20.93 20.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.936 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -131.22 143.56 50.67 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.064 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.37 -11.23 59.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.362 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -81.14 3.96 21.71 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.527 ' HA2' ' OE1' ' A' ' 18' ' ' GLN . . . 103.29 26.04 7.13 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 119.803 -1.189 . . . . 0.0 114.701 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 18' ' ' GLN . 4.3 mm-40 -96.64 115.48 27.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.791 0.796 . . . . 0.0 110.059 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CE1' ' OE1' ' A' ' 18' ' ' GLN . 9.5 m-85 -117.48 136.71 53.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.337 0.589 . . . . 0.0 112.369 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.508 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 81.0 m-85 -125.39 166.43 16.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.845 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.96 148.17 52.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.433 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.406 HG13 HG22 ' A' ' 15' ' ' VAL . 5.3 mt -78.07 123.08 34.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.741 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.72 -28.37 46.23 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.123 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.0 t -61.4 -42.23 98.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.13 0.49 . . . . 0.0 109.855 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.438 ' HG3' ' CG2' ' A' ' 15' ' ' VAL . 2.7 mm-40 -71.76 -40.77 69.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.169 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.9 t -61.85 -40.57 87.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.205 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.37 -50.7 58.11 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.356 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.9 p30 -65.31 -33.08 75.14 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.503 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -62.92 -42.78 99.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.056 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -93.75 -3.37 52.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 68.73 30.71 4.79 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.804 0.335 . . . . 0.0 111.57 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.87 126.21 50.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.005 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -126.59 175.08 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.111 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? 60.17 43.09 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 58.42 20.32 44.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.443 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.8 t -59.4 -33.77 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.011 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.8 -52.11 58.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -70.43 -34.71 72.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.132 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -73.06 -30.91 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -92.16 -14.25 29.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.288 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.456 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 91.6 m-85 -132.53 65.4 74.55 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-O 120.81 0.338 . . . . 0.0 111.043 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.22 -32.13 93.97 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.771 2.314 . . . . 0.0 112.916 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.18 -14.43 60.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.526 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 3.6 tp -67.02 134.31 51.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 111.24 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.56 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.1 t90 -69.9 120.72 16.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.48 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -139.22 138.73 37.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.441 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 12.2 mtm180 -150.42 165.9 31.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.086 0.47 . . . . 0.0 111.619 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.72 151.6 19.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.422 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.408 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . . . -100.11 127.64 46.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.043 0.449 . . . . 0.0 111.816 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.8 p -71.89 171.57 11.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.005 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.554 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 38.8 t -56.06 -39.07 56.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.222 0.534 . . . . 0.0 110.382 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.83 -42.46 73.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.146 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -65.22 -40.82 94.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.18 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -66.75 -39.69 88.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.841 -179.61 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -63.81 -41.54 97.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.452 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 9.8 mtpt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.078 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.408 ' HB ' ' CB ' ' A' ' 55' ' ' ALA . 39.9 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.769 0.319 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.5 p -90.79 115.46 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.782 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 mp -96.95 144.87 26.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.036 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 3.6 mp -134.77 149.31 50.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.327 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.56 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 9.8 mmtt -69.07 121.93 17.7 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 110.933 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.33 -32.9 40.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.699 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.4 95.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.984 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 3.4 mm-40 -66.23 -49.26 67.83 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.071 0.462 . . . . 0.0 110.219 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.506 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 22.2 t -62.49 -40.03 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.562 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.36 -45.34 88.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 3.3 mm-40 -62.4 -48.5 79.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.048 0.452 . . . . 0.0 110.628 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.4 mt -61.63 -39.19 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.2 mt -66.21 -35.79 81.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.924 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -13.24 59.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.197 179.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.14 3.77 54.16 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.63 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 6.6 t30 -104.21 110.96 23.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.478 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 17.4 p-10 -163.98 14.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -53.89 -42.71 68.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.898 0.38 . . . . 0.0 110.983 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -63.15 -30.43 71.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.615 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.478 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.5 m-85 -79.79 -45.38 18.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.348 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -67.42 -13.32 61.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.183 -179.572 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.225 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.56 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HG3' ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 31.2 Cg_exo -59.71 156.91 35.01 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.281 1.988 . . . . 0.0 111.947 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.448 HG22 HG13 ' A' ' 28' ' ' ILE . 20.6 m -72.77 119.37 19.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-O 121.236 0.541 . . . . 0.0 111.969 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -113.03 154.24 26.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.735 179.087 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -153.96 169.33 23.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.821 0.343 . . . . 0.0 111.255 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.432 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.62 127.92 49.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 26' ' ' TYR . 50.2 mt -104.88 -30.71 9.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -119.02 143.96 46.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.081 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.63 -11.93 55.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.779 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -1.23 43.9 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.86 26.06 7.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.27 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -83.96 116.8 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 0.0 110.627 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.432 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.5 m-85 -112.09 133.77 54.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.989 0.423 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 76.0 m-85 -123.62 166.77 14.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.589 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.424 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.95 144.32 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.52 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.448 HG13 HG22 ' A' ' 15' ' ' VAL . 15.4 mt -75.25 119.96 23.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.025 0.441 . . . . 0.0 110.989 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.94 -28.43 48.17 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.917 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.96 -41.22 99.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.471 . . . . 0.0 110.009 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.99 -41.05 71.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 t -63.75 -40.88 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.407 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.81 -50.87 60.08 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.261 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.8 p30 -64.61 -33.05 75.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.025 0.44 . . . . 0.0 109.982 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.5 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -60.59 -42.9 97.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.753 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -95.19 -2.55 49.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.75 29.71 5.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.312 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.8 mmm -101.57 126.3 48.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.044 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.46 174.96 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 59.14 33.82 22.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.788 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.91 20.43 74.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -33.8 69.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.92 -52.07 58.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -68.77 -39.09 80.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.957 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -67.23 -31.08 71.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.77 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -91.96 -16.42 26.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.272 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.45 ' CE2' ' HG2' ' A' ' 108' ' ' LYS . 74.7 m-85 -131.63 67.94 80.39 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.995 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.19 -32.3 82.72 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.529 2.153 . . . . 0.0 112.806 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.426 ' CB ' ' HA ' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -72.35 -9.47 58.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.477 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 2.9 tp -75.67 136.45 40.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.828 0.347 . . . . 0.0 111.078 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.498 ' HB3' ' HG2' ' A' ' 92' ' ' LYS . 77.7 t90 -74.57 122.88 23.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.795 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ptt-85 -139.2 138.74 37.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 111.111 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 6.5 mtm-85 -150.55 166.08 31.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.155 0.502 . . . . 0.0 111.596 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.64 143.13 26.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.461 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.48 126.71 31.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.817 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.5 p -75.54 171.3 14.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.028 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.4 t -55.59 -39.75 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.153 0.502 . . . . 0.0 110.643 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.55 -50.61 43.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.375 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -56.71 -39.95 74.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.925 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -60.58 -48.7 80.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.105 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -39.56 75.73 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 mttp . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.526 177.882 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.795 0.331 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.3 p -92.39 133.97 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.41 ' CD2' ' CD1' ' A' ' 19' ' ' LEU . 1.1 mp -115.69 144.92 43.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.32 158.97 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.04 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.498 ' HG2' ' HB3' ' A' ' 51' ' ' TRP . 4.2 mmmm -76.56 122.42 24.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.736 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.19 41.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.0 m -64.96 -38.48 91.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.06 -49.34 61.94 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.682 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 16.9 t -63.21 -47.95 89.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.636 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -43.68 73.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.713 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -61.08 -48.52 81.32 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 111.078 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.8 mt -61.6 -39.4 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.065 0.46 . . . . 0.0 109.765 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 29.7 mt -67.72 -33.27 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.092 178.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.87 -14.0 59.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.045 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.49 3.58 53.18 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.621 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -104.51 110.9 23.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 177.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.493 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 8.4 p-10 -167.69 16.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -58.67 -38.5 78.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -71.01 -21.43 62.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.493 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.4 m-85 -84.77 -44.52 13.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.852 0.358 . . . . 0.0 111.56 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.45 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -64.84 -21.59 66.82 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.62 -178.753 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.936 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tptt . . . . . 0 CA--C 1.527 0.085 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.8 155.32 44.11 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.412 2.075 . . . . 0.0 111.924 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.438 HG22 HG13 ' A' ' 28' ' ' ILE . 13.3 m -72.84 117.35 16.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 CA-C-O 121.319 0.581 . . . . 0.0 111.622 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -112.5 149.92 31.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.098 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.42 ' CZ ' HD22 ' A' ' 90' ' ' LEU . 15.8 p90 -149.31 168.56 23.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 111.223 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -102.92 127.96 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.368 179.584 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mt -108.17 -20.52 13.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.538 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 4.4 mm-40 -128.01 143.86 51.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.025 0.44 . . . . 0.0 111.251 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -65.06 -11.99 45.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.92 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -1.15 42.61 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.87 24.65 10.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.361 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -83.75 116.73 22.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 0.0 110.502 179.675 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.454 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.4 m-85 -110.47 130.84 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.287 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CD1' ' CZ3' ' A' ' 51' ' ' TRP . 79.7 m-85 -121.75 166.63 14.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.512 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.452 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -130.86 149.77 52.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.502 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.438 HG13 HG22 ' A' ' 15' ' ' VAL . 17.7 mt -77.19 122.09 31.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.924 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.74 -36.88 60.27 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.911 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 p -57.19 -38.77 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.12 0.486 . . . . 0.0 110.08 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' CG2' ' A' ' 15' ' ' VAL . 3.3 mm-40 -70.67 -41.72 71.71 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.094 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.5 t -62.6 -40.6 88.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.616 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.33 -50.61 58.73 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.568 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 25.8 p30 -65.46 -32.99 74.9 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.249 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.0 t80 -63.12 -42.81 99.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.945 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -93.38 -3.13 53.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.124 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.63 29.96 5.22 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.622 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.4 mtt -101.16 126.07 47.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -126.81 175.1 8.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 56.73 42.78 26.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.82 19.48 55.68 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -60.25 -33.88 72.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -64.95 -52.08 58.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.733 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.16 -39.0 86.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.77 -40.31 91.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.693 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -83.62 -15.91 47.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.422 ' CE2' ' HG2' ' A' ' 108' ' ' LYS . 89.0 m-85 -134.31 65.56 68.64 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -62.36 -32.32 81.31 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.647 2.231 . . . . 0.0 112.72 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.1 t -72.51 -10.07 59.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.686 0.279 . . . . 0.0 111.22 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.3 tp -69.55 128.52 36.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.552 ' CD2' ' HD2' ' A' ' 92' ' ' LYS . 73.3 t90 -69.91 118.91 13.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.646 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.36 143.54 37.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.764 0.316 . . . . 0.0 111.188 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -154.1 166.17 33.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.088 179.661 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.18 153.07 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.83 140.73 39.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.039 0.447 . . . . 0.0 111.776 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.3 p -77.66 171.53 14.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.148 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.423 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 36.0 t -60.25 -37.07 72.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.988 0.423 . . . . 0.0 110.686 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.39 -51.17 31.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.01 -46.71 89.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 9.9 ptp180 -60.77 -41.61 95.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -57.93 -43.37 86.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.4 mttt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.17 178.675 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.2 t . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.797 0.332 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 66.2 p -90.91 119.17 30.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.42 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 1.9 mp -96.75 144.88 26.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.978 0.418 . . . . 0.0 111.385 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.21 151.53 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.498 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.552 ' HD2' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -69.77 121.6 17.56 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.347 0.594 . . . . 0.0 111.323 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.66 -42.38 56.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.694 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -56.85 -40.25 75.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.048 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.431 ' HG2' ' CE1' ' A' ' 107' ' ' TYR . 15.0 mt-10 -68.22 -49.32 61.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.984 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.462 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 10.9 t -60.95 -50.21 81.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.84 -42.14 71.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.63 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.473 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.1 OUTLIER -60.91 -48.8 80.17 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.064 0.459 . . . . 0.0 111.038 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 mt -62.4 -39.23 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.082 0.468 . . . . 0.0 109.8 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 20.1 mt -66.75 -34.63 78.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.122 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.74 -14.35 59.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.062 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.56 3.61 52.95 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.533 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.473 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.7 OUTLIER -104.22 110.78 23.12 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.788 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 12.2 p-10 -164.36 13.82 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -39.11 65.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -30.06 70.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.644 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.3 m-85 -80.28 -43.84 20.62 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.322 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -68.44 -11.16 59.31 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.342 -179.329 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.514 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.726 0.298 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 31.1 Cg_exo -60.36 162.3 17.8 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.429 2.086 . . . . 0.0 111.906 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.482 HG22 HG13 ' A' ' 28' ' ' ILE . 16.2 m -72.9 117.23 16.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 121.331 0.586 . . . . 0.0 112.055 -178.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.25 153.24 28.71 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.457 179.129 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -155.14 169.09 24.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 111.736 -179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -104.6 127.98 52.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.41 179.566 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -108.79 -25.1 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.434 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.19 143.81 47.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 111.181 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.89 -12.11 58.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.659 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.22 -3.28 51.85 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.0 24.11 8.22 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.397 -0.906 . . . . 0.0 113.135 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -80.94 116.78 21.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.4 m-85 -111.36 128.86 56.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 89.7 m-85 -121.39 166.84 13.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.583 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.465 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 4.9 mtm -135.84 149.27 48.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.482 HG13 HG22 ' A' ' 15' ' ' VAL . 12.0 mt -79.25 118.15 26.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 121.119 0.485 . . . . 0.0 111.049 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.87 -24.75 34.97 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.748 -0.66 . . . . 0.0 113.044 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -64.15 -43.32 95.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.172 0.51 . . . . 0.0 109.701 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.49 -39.62 74.08 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.948 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.87 -40.68 89.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.261 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.96 -50.7 61.35 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.234 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.2 p30 -64.48 -33.0 74.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.072 0.463 . . . . 0.0 110.032 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.2 t80 -60.89 -42.78 98.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.85 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -94.66 -2.75 50.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.988 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.58 30.11 5.25 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.742 0.306 . . . . 0.0 111.407 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.0 126.32 47.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.068 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -126.53 175.02 8.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.123 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 59.41 37.49 23.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.747 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.56 20.59 63.87 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -57.96 -33.97 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.91 -51.08 63.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.31 -39.0 78.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.032 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -28.92 65.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -90.34 -24.67 20.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.555 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.8 m-85 -119.43 71.7 13.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.111 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.45 -28.66 78.2 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.866 2.377 . . . . 0.0 112.97 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.402 ' CB ' ' HA ' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -85.42 6.42 26.76 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.677 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.555 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 6.2 tp -87.28 130.86 34.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 111.277 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 68.4 t90 -69.9 119.55 14.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -139.5 138.79 36.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.111 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.623 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -152.28 160.66 43.31 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 111.487 179.334 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.414 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -94.02 131.77 39.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.91 146.74 30.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.011 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.408 ' N ' ' HB2' ' A' ' 59' ' ' GLU . 6.8 p -83.01 171.5 13.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.522 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.556 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 24.9 t -54.02 -48.48 64.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.19 0.519 . . . . 0.0 110.249 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.83 -40.42 95.25 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.408 ' HB2' ' N ' ' A' ' 56' ' ' THR . 34.3 mt-10 -60.92 -46.08 92.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.078 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -60.99 -38.5 86.25 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.541 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.535 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 26.8 mttt -58.82 -49.5 77.49 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.5 179.062 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 18.5 t . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.861 0.362 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 p -92.4 116.2 28.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.2 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -96.77 144.75 26.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.29 -179.379 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 mp -135.75 157.0 47.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.399 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.501 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 8.8 mmtt -76.6 121.7 23.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.935 0.398 . . . . 0.0 110.672 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.34 -44.19 54.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.504 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.0 p -59.02 -37.88 77.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.428 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -68.05 -49.25 62.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.526 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.471 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 22.0 t -63.11 -39.26 84.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.489 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.14 -46.04 89.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.675 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.446 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 13.9 mm-40 -61.72 -48.01 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.082 0.467 . . . . 0.0 110.719 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.6 mt -61.23 -39.24 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.8 mt -65.24 -35.94 82.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.856 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.88 -13.06 60.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.281 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.32 3.78 53.61 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.7 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 9.0 t30 -104.33 111.12 23.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.456 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.1 p-10 -167.7 17.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.46 -34.04 68.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.362 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -25.3 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 26.4 m-85 -82.06 -31.92 30.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.469 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -80.81 -19.8 43.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.436 -178.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.222 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.055 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 14' ' ' PRO . 1.3 tppp? . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.759 0.314 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.402 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 31.8 Cg_exo -59.74 158.03 30.24 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.386 2.057 . . . . 0.0 112.097 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.435 HG22 HG13 ' A' ' 28' ' ' ILE . 15.2 m -72.95 116.98 15.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.279 0.562 . . . . 0.0 111.635 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -111.33 149.68 30.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.855 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.8 p90 -148.05 167.62 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 111.434 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.89 127.93 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 179.646 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 mt -108.74 -27.11 9.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.266 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -118.76 143.82 46.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.978 0.418 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.73 -12.24 57.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.691 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.29 -1.93 47.03 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.89 25.21 8.13 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.447 -0.882 . . . . 0.0 113.078 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -80.47 116.79 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 110.619 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.407 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 7.5 m-85 -111.54 133.91 53.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.508 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 82.6 m-85 -126.18 166.56 16.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.569 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.459 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -132.2 146.28 51.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.504 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.435 HG13 HG22 ' A' ' 15' ' ' VAL . 14.5 mt -76.12 122.72 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.885 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.66 -29.4 48.87 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.081 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.3 p -61.6 -41.43 97.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.045 0.45 . . . . 0.0 109.975 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.07 -42.37 69.49 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.235 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.1 -40.81 88.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.496 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.68 -50.73 59.48 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.3 p30 -65.43 -32.95 74.84 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.201 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.492 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -61.56 -42.89 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.781 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -93.43 -3.83 52.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.93 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.7 30.8 4.81 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.39 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.7 mmm -101.7 126.04 48.48 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -126.61 174.96 8.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 56.9 43.33 25.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.57 19.18 53.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.462 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.9 t -60.11 -33.7 72.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.771 0.319 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.89 -51.63 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.415 ' CE2' ' HD2' ' A' ' 52' ' ' ARG . 27.8 m-85 -69.21 -36.65 77.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -34.1 77.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.311 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -92.05 -14.28 29.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.138 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.46 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 92.3 m-85 -134.99 59.91 37.25 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.46 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 28.0 Cg_exo -62.44 -30.15 79.85 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.387 2.058 . . . . 0.0 112.423 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.9 t -72.14 -15.65 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.244 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 4.0 tp -67.36 135.84 53.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 111.137 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.599 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 70.5 t90 -71.27 119.53 15.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.415 ' HD2' ' CE2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -139.67 138.69 36.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.735 179.492 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.16 160.13 41.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 111.415 179.544 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.15 130.94 41.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.112 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.52 145.63 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.568 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.9 p -72.15 171.63 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.241 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.446 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 23.7 t -59.63 -37.29 69.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.998 0.428 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -70.21 -50.87 35.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.35 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -60.17 -46.74 88.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.013 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 9.4 ptp180 -60.71 -41.89 96.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.466 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -42.06 84.8 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.13 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.3 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.1 t -95.04 115.31 27.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.545 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.93 147.9 23.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.003 0.43 . . . . 0.0 111.424 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.86 157.5 44.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.286 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.516 ' HG2' ' HB3' ' A' ' 51' ' ' TRP . 14.1 mmtm -71.29 122.09 19.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.91 -38.34 61.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.973 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.9 t -65.05 -35.33 80.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.439 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -67.46 -49.82 61.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.979 0.419 . . . . 0.0 110.498 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.508 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 11.1 t -64.32 -38.54 82.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.566 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.97 90.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.738 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.46 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 2.4 mm-40 -62.47 -48.38 79.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 0.0 110.632 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.5 mt -61.54 -39.34 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.7 mt -66.46 -35.56 80.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.952 178.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -77.81 -13.29 59.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.27 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.18 3.7 54.08 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.623 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 42.7 t30 -104.36 111.05 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 14.3 p-10 -164.87 15.19 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -54.02 -40.44 67.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.949 0.404 . . . . 0.0 111.068 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -65.91 -30.25 70.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.663 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.464 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 21.2 m-85 -79.31 -39.03 33.85 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -75.88 -5.99 48.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.107 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.481 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HG3' ' HD2' ' A' ' 14' ' ' PRO . 3.4 tppp? . . . . . 0 C--O 1.232 0.151 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 32.1 Cg_exo -59.73 159.32 24.95 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.47 2.114 . . . . 0.0 112.141 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 HG13 ' A' ' 28' ' ' ILE . 18.4 m -72.89 117.99 17.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.153 0.502 . . . . 0.0 111.611 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.92 150.81 33.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.098 179.522 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.416 ' CZ ' HD22 ' A' ' 90' ' ' LEU . 15.4 p90 -150.11 169.25 21.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 0.0 111.167 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.423 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.83 127.95 49.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.724 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 mt -106.05 -30.93 8.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.06 143.85 45.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 111.054 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -66.68 -12.16 57.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.709 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.17 -0.01 38.46 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.11 24.93 8.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.398 -0.906 . . . . 0.0 113.107 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -81.92 116.87 21.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.726 0.298 . . . . 0.0 110.547 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.8 m-85 -112.53 130.96 55.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.966 0.412 . . . . 0.0 111.22 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 89.5 m-85 -123.67 166.52 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.724 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.478 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.52 148.88 52.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.606 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.478 HG13 HG22 ' A' ' 15' ' ' VAL . 19.8 mt -76.98 121.69 29.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.778 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.67 -29.41 48.96 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.196 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.1 t -62.1 -41.28 98.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.075 0.464 . . . . 0.0 110.034 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.1 -41.86 70.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.173 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.6 t -62.68 -40.87 90.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.438 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.05 -50.74 60.85 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.299 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 23.5 p30 -65.15 -33.07 75.13 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.118 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.49 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.6 t80 -60.62 -43.01 97.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.889 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -94.1 -3.78 50.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.955 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 68.56 31.18 4.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.1 mtt -102.14 126.16 49.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.12 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -126.53 174.73 8.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.177 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 55.99 37.74 29.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.6 22.06 76.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -34.05 75.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.329 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 tp -64.95 -52.2 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -68.02 -38.62 82.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.786 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -66.32 -30.62 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.982 0.42 . . . . 0.0 110.225 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -91.93 -13.65 30.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.032 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.586 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 60.4 m-85 -134.14 63.82 63.22 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 36.0 Cg_exo -60.45 -32.1 93.36 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.777 2.318 . . . . 0.0 113.495 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.17 8.23 18.98 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.586 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 5.2 tp -84.27 139.93 32.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.234 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.581 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.1 t90 -70.33 116.11 10.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -139.57 138.61 36.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.515 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.559 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.11 152.13 30.08 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.504 179.664 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.83 153.08 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.688 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.54 127.02 39.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.613 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.9 p -72.01 171.45 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.042 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.454 ' HA ' ' HG2' ' A' ' 60' ' ' ARG . 34.6 t -58.4 -38.12 67.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.964 0.412 . . . . 0.0 110.545 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.17 -45.41 66.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.137 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -61.91 -46.48 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.844 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.454 ' HG2' ' HA ' ' A' ' 57' ' ' VAL . 3.2 ptt180 -60.78 -42.42 97.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.294 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 1.6 mtpm? -57.77 -41.43 81.97 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mttt . . . . . 0 N--CA 1.452 -0.349 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.639 178.17 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.0 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.739 0.304 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.4 p -90.86 131.85 36.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.907 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.416 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -113.31 145.0 41.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.396 -179.703 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 mp -134.86 152.73 51.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.586 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.581 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 3.8 mmmp? -76.21 122.4 24.3 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.938 0.399 . . . . 0.0 111.019 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.4 -34.28 23.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.361 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 m -62.53 -42.74 99.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.689 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.418 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 2.4 mm-40 -66.7 -49.34 66.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 16.8 t -61.81 -49.56 83.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.076 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.44 -44.06 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.786 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -61.24 -48.44 81.47 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.052 0.453 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.9 mt -61.8 -39.4 83.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 21.7 mt -67.24 -33.54 75.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.872 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -77.78 -13.84 59.77 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.143 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.57 3.91 52.78 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.626 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.483 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -104.04 111.21 23.68 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.55 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 3.4 p30 -168.28 20.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.543 ' HA ' ' HE2' ' A' ' 108' ' ' LYS . 2.6 mt-10 -51.67 -47.81 63.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.355 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -9.96 59.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.658 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.3 m-85 -85.84 -46.41 10.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.25 -6.52 59.28 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.151 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.522 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? . . . . . 0 C--O 1.231 0.102 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.511 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 39.1 Cg_exo -60.94 156.17 45.58 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.493 2.129 . . . . 0.0 112.082 -179.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.402 ' CG2' ' HG3' ' A' ' 31' ' ' GLU . 18.6 m -72.86 117.25 16.18 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.187 0.518 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.36 158.82 17.53 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.065 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.425 ' CZ ' HD22 ' A' ' 90' ' ' LEU . 17.8 p90 -159.58 168.28 26.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.923 0.392 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.468 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.88 127.98 49.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.227 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mt -109.03 -21.34 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.387 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.449 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -126.4 143.87 51.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.008 0.432 . . . . 0.0 111.115 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.29 -12.02 26.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.007 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.12 2.17 28.59 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.12 11.72 53.86 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 120.424 -0.893 . . . . 0.0 113.228 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.449 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.1 tt0 -70.11 116.56 10.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.449 . . . . 0.0 110.66 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -109.77 130.71 55.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.312 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.513 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 82.4 m-85 -121.47 166.46 14.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.688 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.4 mtm -133.07 153.43 51.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.238 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.3 mt -80.4 122.36 35.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.315 0.578 . . . . 0.0 111.258 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.68 -35.25 57.19 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.596 -0.729 . . . . 0.0 113.019 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -58.44 -39.85 80.95 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.234 0.54 . . . . 0.0 109.812 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.43 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 4.0 mm-40 -66.99 -42.73 84.54 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.66 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.9 t -62.43 -40.69 89.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.267 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.78 -50.7 64.68 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.029 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 16.7 p30 -62.73 -32.62 73.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 109.753 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.511 ' CD2' ' HD3' ' A' ' 14' ' ' PRO . 5.0 t80 -59.64 -42.58 93.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.301 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -102.18 2.62 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.265 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 68.43 28.45 6.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.396 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.6 mtt -100.99 126.01 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.185 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -126.85 175.01 8.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 56.31 36.56 27.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.005 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.68 20.91 79.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.574 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -60.08 -33.86 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.5 tp -64.92 -51.83 59.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -65.66 -35.59 81.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.83 -33.81 74.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -92.05 -11.65 35.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.301 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.552 ' CE2' ' CG ' ' A' ' 108' ' ' LYS . 64.3 m-85 -134.07 65.22 68.83 Favored Pre-proline 0 CA--C 1.531 0.226 0 CA-C-O 120.769 0.319 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -62.35 -27.26 77.53 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.78 2.32 . . . . 0.0 112.898 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.9 t -86.88 7.99 24.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.644 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.55 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.2 tp -87.38 137.3 32.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.062 0.458 . . . . 0.0 111.438 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CH2' ' CE2' ' A' ' 26' ' ' TYR . 73.0 t90 -69.83 115.89 9.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.543 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 138.59 36.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.847 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.451 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 16.1 ptt180 -154.11 156.81 37.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 111.368 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.14 130.84 36.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.277 179.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.94 143.14 34.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.492 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.479 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 4.8 p -71.86 167.69 19.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.319 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.0 t -53.46 -48.13 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.973 0.416 . . . . 0.0 110.444 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.52 -39.43 93.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.031 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.85 -42.46 99.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.827 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 56' ' ' THR . 7.9 mtm-85 -62.41 -41.92 99.04 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.794 0.331 . . . . 0.0 110.158 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -45.72 86.02 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 mttt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.904 178.752 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 36.9 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.912 0.386 . . . . 0.0 111.276 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.93 119.54 31.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.591 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.425 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -98.81 144.41 28.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.304 -179.556 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.2 mp -140.86 156.91 46.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.708 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.482 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 6.2 mmtt -75.06 121.51 22.12 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.015 0.436 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.55 -52.85 27.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.716 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.52 -33.77 64.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.373 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -68.1 -49.29 62.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.785 0.326 . . . . 0.0 111.007 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.452 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 21.2 t -61.18 -49.92 82.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.024 0.44 . . . . 0.0 110.314 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -54.83 -39.2 68.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.954 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.562 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 8.1 mm-40 -64.09 -48.82 74.68 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.163 0.506 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 mt -62.96 -39.43 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.879 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.481 ' CD2' ' CE1' ' A' ' 35' ' ' TYR . 32.2 mt -67.47 -32.7 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.799 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -77.92 -14.57 59.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.21 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.67 4.05 52.39 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.627 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 10.2 t30 -103.95 111.56 24.15 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.539 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 3.6 p30 -169.22 19.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.281 -0.567 . . . . 0.0 112.374 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.54 ' HA ' ' HE2' ' A' ' 108' ' ' LYS . 43.3 mt-10 -51.72 -45.19 63.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -74.83 -19.28 60.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.625 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.539 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 20.8 m-85 -76.17 -46.14 29.99 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.552 ' CG ' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -85.65 -9.52 57.12 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.254 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.452 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HD3' ' CD1' ' A' ' 100' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.116 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 25.9 Cg_exo -63.91 159.74 40.66 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.646 2.23 . . . . 0.0 112.285 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.412 ' CG2' ' HG3' ' A' ' 31' ' ' GLU . 17.2 m -72.66 116.16 14.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.356 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.98 159.79 16.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.49 -179.62 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -159.83 167.07 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.998 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.425 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.93 127.97 49.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.477 179.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.446 ' CD1' ' CD2' ' A' ' 90' ' ' LEU . 4.5 mt -108.71 -25.42 10.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.56 143.8 48.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.952 0.406 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.55 -12.17 56.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.652 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.36 0.02 39.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.95 26.02 9.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.501 -0.856 . . . . 0.0 113.09 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -82.48 116.68 22.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.774 0.321 . . . . 0.0 110.649 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 7.3 m-85 -110.83 130.96 55.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 89.7 m-85 -123.1 166.51 15.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.716 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.413 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -132.5 149.47 52.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.33 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.41 HG13 ' CG2' ' A' ' 15' ' ' VAL . 13.3 mt -77.91 123.87 35.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.35 0.595 . . . . 0.0 111.368 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.79 -35.99 59.0 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.981 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -57.91 -39.06 77.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.105 0.478 . . . . 0.0 109.91 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.465 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 4.0 mm-40 -68.27 -45.03 74.24 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.896 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.9 t -60.1 -40.57 83.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.029 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.59 -50.17 69.78 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.804 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 17.4 p30 -61.68 -32.94 73.15 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.173 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.473 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 0.3 OUTLIER -59.59 -43.94 93.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.633 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.58 1.26 46.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.618 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.58 26.0 8.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.244 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.9 126.19 47.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.399 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -126.87 174.32 8.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.7 44.67 25.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.048 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.49 19.73 69.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.571 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -66.07 -34.01 77.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.83 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tp -64.97 -52.04 58.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.651 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.412 ' CE1' ' HG2' ' A' ' 52' ' ' ARG . 14.7 m-85 -63.43 -34.24 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -65.79 -39.05 90.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.525 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -83.34 -17.01 43.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.467 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 83.2 m-85 -134.05 64.24 65.33 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.412 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 36.3 Cg_exo -62.25 -29.18 79.88 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.739 2.292 . . . . 0.0 113.097 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -10.49 59.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.757 0.313 . . . . 0.0 111.218 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.7 tp -70.0 135.36 49.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.361 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.517 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 80.7 t90 -69.77 117.82 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.897 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HG2' ' CE1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -132.99 138.21 46.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.677 0.275 . . . . 0.0 110.554 179.374 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.47 143.61 21.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 111.392 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.63 134.37 34.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.462 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.77 148.02 23.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.432 . . . . 0.0 111.635 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.611 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.7 p -71.95 164.09 26.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.257 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' A' ' 60' ' ' ARG . 21.6 t -53.29 -34.64 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.148 0.499 . . . . 0.0 110.632 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.18 -51.2 33.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.35 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.65 -41.5 86.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.541 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 56' ' ' THR . 7.9 mtt180 -61.62 -42.42 98.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.174 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -57.85 -43.46 85.92 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.176 178.699 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.85 0.357 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 p -92.1 131.36 37.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.58 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.446 ' CD2' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -104.53 144.2 32.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.969 0.414 . . . . 0.0 111.494 -179.63 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 51' ' ' TRP . 4.5 mm? -135.95 152.67 51.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.133 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.517 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 8.9 mmmm -76.15 121.8 23.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.662 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -48.87 -48.33 42.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.855 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 1.5 p -56.5 -37.45 70.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.297 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.448 ' HG2' ' CE1' ' A' ' 107' ' ' TYR . 5.1 mt-10 -68.05 -49.43 61.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 111.034 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.452 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 21.8 t -61.15 -47.12 94.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.441 . . . . 0.0 110.47 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.94 -43.48 73.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.958 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.627 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 37.2 mm-40 -61.54 -48.52 80.62 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.048 0.451 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 mt -61.9 -39.69 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.459 HD21 ' CZ ' ' A' ' 35' ' ' TYR . 19.6 mt -66.86 -33.38 75.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.007 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.57 -14.86 59.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.037 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.35 3.58 53.61 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.631 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 5.5 t30 -104.44 111.53 24.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.478 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 6.5 p-10 -165.81 15.55 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.093 -0.643 . . . . 0.0 112.724 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.61 -36.51 64.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.742 0.306 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -29.61 65.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.478 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 22.8 m-85 -78.32 -29.58 47.75 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -87.99 -5.72 58.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.058 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.207 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.858 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.418 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 32.7 Cg_exo -60.09 162.25 17.16 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.316 2.011 . . . . 0.0 111.825 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.419 HG22 HG13 ' A' ' 28' ' ' ILE . 19.8 m -74.64 121.67 26.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 121.337 0.589 . . . . 0.0 112.168 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -114.47 153.59 29.69 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.666 179.037 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.406 ' CZ ' HD22 ' A' ' 90' ' ' LEU . 20.3 p90 -153.48 169.19 23.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.979 0.419 . . . . 0.0 111.309 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.449 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.95 128.54 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.457 179.649 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 mt -108.59 -21.25 12.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.428 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 8.2 mm-40 -128.22 143.99 51.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.983 0.42 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.87 -11.99 43.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.834 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -80.99 0.14 36.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.26 21.3 17.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.311 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 2.3 mt-10 -79.81 116.87 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.525 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.449 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -110.86 130.57 55.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.01 0.433 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.498 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 75.5 m-85 -121.16 166.8 13.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.509 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.431 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 5.1 mtm -132.69 151.14 52.05 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.448 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 89' ' ' THR . 12.1 mt -79.0 118.8 27.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.74 -31.44 53.77 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.058 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -60.94 -40.86 94.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.208 0.528 . . . . 0.0 109.904 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.49 -39.23 74.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.96 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.25 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.289 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.98 -50.77 60.75 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.247 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 23.7 p30 -64.33 -33.04 74.93 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.097 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.5 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -61.4 -42.82 99.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.891 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -94.2 -2.72 52.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.027 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 68.57 30.56 5.09 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.484 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.1 mtt -100.98 126.09 47.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.202 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -126.63 175.07 8.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.138 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 57.42 37.8 28.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.46 22.83 68.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.52 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.6 t -61.62 -33.99 74.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.828 0.347 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 tp -64.99 -52.14 57.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.757 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -66.13 -38.91 89.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -68.0 -35.69 78.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -88.02 -13.53 41.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.339 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.492 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 82.2 m-85 -133.81 66.28 72.49 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.79 0.328 . . . . 0.0 111.016 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.13 -30.27 75.08 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.758 2.305 . . . . 0.0 112.746 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -77.71 -3.92 43.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.594 0.235 . . . . 0.0 111.228 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.0 tp -77.54 139.8 39.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 111.239 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.507 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 71.0 t90 -77.14 116.3 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.589 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -139.25 139.01 37.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.135 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.505 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -151.78 166.16 32.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.938 0.399 . . . . 0.0 111.354 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.13 153.03 20.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.432 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.95 131.13 53.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.012 0.434 . . . . 0.0 111.8 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.2 p -72.11 171.53 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.244 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 20.2 t -59.62 -34.22 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.101 0.476 . . . . 0.0 110.274 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -70.49 -47.3 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.051 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.52 -45.05 92.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.234 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.4 OUTLIER -62.17 -43.57 98.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.759 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -60.23 -41.19 92.6 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.1 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.474 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 40.1 mttt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.023 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.843 0.354 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -90.78 128.47 36.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.428 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.406 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -106.54 144.67 32.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 111.477 -179.505 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.42 156.31 47.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.572 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.507 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 7.1 mmtt -78.38 121.17 24.14 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.33 -42.84 53.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.657 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -39.05 89.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.012 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 6.8 mt-10 -68.66 -49.34 59.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.697 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 21.2 t -60.51 -47.59 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.134 0.493 . . . . 0.0 110.047 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.45 -40.84 72.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.78 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.621 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.5 mm-40 -61.61 -48.75 79.51 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.197 0.522 . . . . 0.0 110.461 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.0 mt -61.95 -39.22 82.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.797 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 21.6 mt -66.34 -33.96 76.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.055 178.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -77.8 -14.65 59.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.954 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.47 3.87 53.11 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.584 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.621 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 31.0 t30 -104.3 111.3 23.87 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.509 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 13.4 p-10 -166.11 16.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.12 -39.03 68.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.947 0.403 . . . . 0.0 111.045 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -70.17 -26.82 64.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.509 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.1 m-85 -81.4 -40.0 24.12 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.674 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -70.1 -22.67 63.01 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.622 -179.226 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.02 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.121 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.428 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 29.7 Cg_exo -60.07 162.15 17.35 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.298 1.999 . . . . 0.0 111.771 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.45 HG22 HG13 ' A' ' 28' ' ' ILE . 29.6 m -74.48 121.08 25.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-O 121.234 0.54 . . . . 0.0 112.384 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.486 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -114.84 147.95 39.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.704 179.141 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -147.68 169.06 20.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.975 0.416 . . . . 0.0 111.383 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -103.03 127.9 50.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.41 179.572 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -109.04 -23.51 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.345 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -121.55 143.75 49.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.938 0.399 . . . . 0.0 110.999 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -12.08 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.775 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.31 -3.64 53.19 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.03 26.05 7.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.0 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.49 116.8 22.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.544 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.8 m-85 -110.35 132.22 54.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.494 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 88.1 m-85 -123.9 166.7 15.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.464 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' MET . . . . . 0.486 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 6.3 mtm -134.15 146.91 50.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.655 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.45 HG13 HG22 ' A' ' 15' ' ' VAL . 14.6 mt -74.84 118.92 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.45 44.07 Favored Glycine 0 C--N 1.332 0.319 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.012 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.8 t -64.16 -41.91 96.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.202 0.525 . . . . 0.0 109.754 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.79 -39.27 76.7 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.117 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 t -66.0 -40.77 88.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.298 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.33 -50.75 63.53 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.107 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.4 p30 -64.22 -33.05 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.043 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.484 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.5 t80 -60.27 -42.9 96.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.855 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -94.28 -3.51 50.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.802 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 68.57 31.32 4.79 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.44 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.1 mtp -102.19 126.21 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.027 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -126.55 173.1 9.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.146 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.13 44.37 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.792 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.12 16.92 58.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.404 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.6 t -57.99 -33.8 69.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.829 0.347 . . . . 0.0 110.981 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tp -64.87 -51.39 62.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.05 -39.01 79.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -32.47 74.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.018 0.437 . . . . 0.0 110.445 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -92.01 -16.52 26.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.11 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 65.3 m-85 -133.68 64.01 66.08 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.041 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.99 -31.97 84.2 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.661 2.24 . . . . 0.0 112.747 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.8 -9.76 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 2.9 tp -74.22 133.89 42.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.567 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 63.2 t90 -71.86 120.6 17.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -139.58 138.35 36.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.596 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.567 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.4 159.42 41.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.753 0.311 . . . . 0.0 111.356 179.701 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.56 130.88 38.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.44 142.68 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.617 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.438 ' N ' ' HB2' ' A' ' 59' ' ' GLU . 7.8 p -71.84 169.5 15.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.391 179.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.84 -49.66 57.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.065 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -33.12 74.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.917 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.438 ' HB2' ' N ' ' A' ' 56' ' ' THR . 20.7 mt-10 -64.87 -43.57 92.54 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.291 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -62.63 -41.82 99.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.025 179.406 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -57.72 -46.5 84.33 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.011 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.832 0.349 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.48 114.2 26.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.455 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.0 mp -96.88 148.83 22.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.006 0.432 . . . . 0.0 111.335 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.18 156.09 49.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.392 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.505 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 5.5 mmtp -70.99 122.04 19.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 0.0 110.722 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.58 -38.42 59.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.327 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -64.9 -35.9 82.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.069 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.46 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -67.94 -49.52 61.28 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.067 0.461 . . . . 0.0 110.515 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 11.4 t -62.5 -47.61 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.31 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -54.83 -41.48 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.611 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.8 mm-40 -63.08 -48.74 77.35 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.208 0.528 . . . . 0.0 110.499 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.89 -39.21 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.671 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 18.0 mt -66.06 -34.85 79.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.151 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -14.37 59.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.058 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.46 3.89 53.12 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.427 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.611 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 11.9 t30 -104.19 111.22 23.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.477 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.9 p-10 -166.54 16.65 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -56.49 -34.82 67.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -74.2 -26.35 60.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.7 m-85 -80.82 -38.27 28.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.395 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -72.51 -11.67 60.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.242 -179.318 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.397 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.63 117.69 31.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.09 110.11 8.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -95.98 123.47 39.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.02 112.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.789 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -157.29 130.17 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.0 mt -113.43 134.47 54.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 p -139.89 97.53 3.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -110.66 -29.74 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.479 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 1.4 p -100.48 142.0 32.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.687 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -138.2 126.13 22.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.485 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.39 -170.86 28.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 119.969 -1.11 . . . . 0.0 112.959 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -67.9 157.02 35.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HG3' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -68.84 144.02 95.39 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -179.424 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.401 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 31.6 Cg_exo -59.8 160.71 20.49 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.421 2.081 . . . . 0.0 111.995 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.456 HG22 HG13 ' A' ' 28' ' ' ILE . 17.8 m -72.85 117.28 16.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-O 121.193 0.52 . . . . 0.0 111.722 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.0 OUTLIER -111.17 150.35 29.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.931 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.434 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 20.1 p90 -149.81 168.29 24.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.939 0.399 . . . . 0.0 111.186 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -102.77 127.95 49.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.265 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -108.52 -21.3 12.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.418 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.439 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 2.4 mt-10 -128.16 143.97 51.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.001 0.429 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -12.14 28.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.943 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.16 2.37 27.91 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 111.882 0.326 . . . . 0.0 111.882 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.83 10.28 55.4 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.41 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.439 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.4 mt-10 -69.63 116.68 10.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.054 0.454 . . . . 0.0 110.604 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.471 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 5.7 m-85 -110.98 134.89 52.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.141 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 73.4 m-85 -123.96 166.67 15.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.467 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.411 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -132.54 147.69 52.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.431 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.456 HG13 HG22 ' A' ' 15' ' ' VAL . 17.6 mt -76.15 120.45 26.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.147 0.499 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.7 -28.81 47.51 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.936 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.9 m -61.49 -42.2 98.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.081 0.467 . . . . 0.0 109.828 179.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.86 -42.22 73.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.972 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.1 t -61.4 -40.88 87.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.308 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.43 -50.7 62.19 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.208 179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.2 p30 -65.94 -32.8 74.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.988 0.423 . . . . 0.0 110.219 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.487 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.3 t80 -59.83 -43.03 94.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.768 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.25 -4.0 46.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 68.45 32.27 4.55 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.42 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.1 126.1 47.77 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -126.49 175.0 8.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.103 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 60.4 36.93 20.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.754 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.83 19.45 67.48 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -33.96 70.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.336 . . . . 0.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.87 -48.54 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -72.26 -38.99 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -30.08 66.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.759 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.69 -24.07 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.677 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 69.0 m-85 -122.64 74.03 43.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.929 0.395 . . . . 0.0 111.147 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.69 -32.1 92.78 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.951 2.434 . . . . 0.0 113.362 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.42 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . 0.3 OUTLIER -87.61 7.45 29.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.21 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.677 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.9 tp -84.07 129.34 34.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 0.0 111.19 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 68.5 t90 -69.86 116.31 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.841 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.52 138.43 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.698 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.437 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 12.5 ptt180 -154.52 166.1 34.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 111.247 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.96 147.98 22.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.526 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.18 142.05 31.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.385 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.427 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.1 p -71.97 167.54 19.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.152 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.6 -40.56 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.033 0.444 . . . . 0.0 110.315 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.07 -42.05 81.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.963 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -61.36 -45.29 95.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.503 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 56' ' ' THR . 6.5 mtm-85 -60.9 -42.32 97.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.388 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -57.58 -46.06 84.46 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -68.15 -34.76 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.064 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.434 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 26.5 mt -60.3 -49.98 82.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.099 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.6 -47.82 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.763 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.5 66.03 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.2 p -78.8 -51.19 10.1 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 t -76.24 -51.07 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 111.426 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -100.57 178.15 4.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.438 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.31 -77.57 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.408 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -32.69 6.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.822 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HD2' ' CZ ' ' A' ' 81' ' ' TYR . 29.6 mttt 61.11 171.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.3 p -83.94 -168.43 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt 61.49 166.66 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -51.76 111.38 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.564 2.176 . . . . 0.0 112.361 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.73 153.75 49.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.7 p -112.83 163.98 13.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -90.57 -31.97 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.87 -32.04 70.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -117.91 161.86 19.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -117.6 -105.43 2.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.543 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.411 ' CZ ' ' HD2' ' A' ' 71' ' ' LYS . 6.9 m-85 -140.74 133.14 28.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -137.93 29.25 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.66 -51.18 2.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.29 -0.31 28.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.6 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -86.03 8.48 20.46 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.8 m -86.19 -35.51 20.03 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.828 0.346 . . . . 0.0 110.666 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.14 108.8 1.93 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.647 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 31.6 t -115.52 119.79 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.3 p -94.86 119.66 33.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.49 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.8 mp -96.78 149.14 22.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 111.289 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 mp -136.05 156.77 48.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.545 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.53 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 18.3 mmtt -72.28 122.05 20.45 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 110.704 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.88 -38.94 62.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.02 -35.03 79.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.444 ' HG3' ' CE2' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -67.92 -49.39 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.015 0.436 . . . . 0.0 110.548 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.468 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 25.2 t -63.29 -43.67 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.442 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.2 -44.57 79.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.764 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.473 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.1 mm-40 -62.32 -48.37 80.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.053 0.454 . . . . 0.0 110.761 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -61.56 -39.18 82.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 13.6 mt -65.64 -35.79 81.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.843 178.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.81 -13.26 59.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.269 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.29 3.8 53.69 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.604 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.473 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 11.4 t30 -104.2 111.23 23.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.486 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 5.3 p-10 -168.31 19.0 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.49 -38.02 73.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.862 0.363 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -74.1 -21.06 60.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.486 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 24.7 m-85 -83.64 -33.13 25.34 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.817 0.341 . . . . 0.0 111.486 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -78.56 -32.19 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.73 -178.485 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.441 ' O ' ' HB ' ' A' ' 110' ' ' VAL . . . -116.19 29.33 8.03 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.441 ' HB ' ' O ' ' A' ' 109' ' ' ALA . 88.3 t 69.58 -55.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.086 0.469 . . . . 0.0 111.345 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.425 ' O ' ' CG2' ' A' ' 112' ' ' ILE . 4.7 t -159.45 -38.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.286 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.425 ' CG2' ' O ' ' A' ' 111' ' ' SER . 0.5 OUTLIER 44.83 42.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.007 0.432 . . . . 0.0 111.481 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.943 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.14 -42.25 13.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.351 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.4 ttm -74.6 161.09 30.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mtt 60.52 79.85 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -101.33 -31.62 10.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -168.84 87.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.4 mt -91.71 96.68 10.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -136.4 144.0 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -139.77 -46.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.487 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.9 p -111.34 135.83 51.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.604 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.26 126.53 23.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.298 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.69 -170.46 28.09 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 119.764 -1.208 . . . . 0.0 112.834 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.45 156.98 35.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.44 145.13 97.09 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 120.652 0.263 . . . . 0.0 110.294 -179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.82 159.34 25.28 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.368 2.045 . . . . 0.0 112.14 -179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.455 HG22 HG13 ' A' ' 28' ' ' ILE . 16.0 m -72.78 116.43 14.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.433 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -112.64 147.88 35.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.043 179.77 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.417 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 16.5 p90 -147.57 167.92 23.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.915 0.388 . . . . 0.0 111.465 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -102.98 127.97 49.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.239 179.485 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -107.61 -23.44 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.551 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 2.3 mm-40 -125.76 143.94 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.979 0.418 . . . . 0.0 111.318 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.05 -12.11 24.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.951 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -81.1 3.25 24.06 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.94 11.63 54.42 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.368 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -70.07 116.79 10.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.027 0.441 . . . . 0.0 110.7 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.448 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.1 m-85 -112.05 134.29 53.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.102 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 78.1 m-85 -125.02 166.55 16.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.663 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.44 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.22 148.71 52.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.44 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.457 ' HA ' ' O ' ' A' ' 89' ' ' THR . 15.3 mt -78.59 122.25 33.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.091 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.97 -26.66 42.31 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.981 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.8 p -62.78 -42.21 99.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.15 0.5 . . . . 0.0 109.881 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -71.11 -42.66 68.98 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.007 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.4 t -61.22 -40.8 87.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.347 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.67 -50.77 59.26 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.287 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.5 p30 -66.43 -33.1 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.261 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.489 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.7 t80 -61.12 -42.87 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.859 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -94.02 -4.51 49.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.93 179.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.57 32.47 4.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.504 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.0 mtp -100.99 126.05 47.64 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -126.75 175.0 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.223 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.48 39.49 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.27 19.58 62.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.398 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -60.15 -33.83 72.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.49 -52.07 55.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -68.22 -39.04 82.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.011 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -70.31 -33.93 72.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.642 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -84.94 -17.91 36.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.067 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.537 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.5 m-85 -130.36 68.16 80.93 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.413 ' HB2' ' CG2' ' A' ' 110' ' ' VAL . 24.9 Cg_exo -62.55 -32.31 79.84 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.536 2.158 . . . . 0.0 113.037 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 t -78.11 -1.18 31.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.559 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.537 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 9.0 tp -78.12 139.96 39.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.857 0.36 . . . . 0.0 111.185 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.522 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 70.2 t90 -79.01 117.38 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.63 138.85 36.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.456 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -153.05 146.57 25.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.838 0.351 . . . . 0.0 111.295 179.6 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.94 153.16 41.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.627 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.19 137.06 43.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.53 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.2 p -71.99 171.37 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.371 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 31.9 t -61.39 -37.7 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.995 0.426 . . . . 0.0 110.648 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -70.29 -51.01 33.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.612 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 69.5 mt-10 -61.28 -46.22 91.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 9.6 ptp180 -60.81 -41.97 96.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -45.0 87.6 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -68.02 -34.7 76.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.084 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.417 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 34.1 mt -59.78 -42.69 89.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.753 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.6 t -64.62 -49.58 79.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.541 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.44 -39.36 67.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.999 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -79.05 -51.25 9.83 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 t -75.32 -43.84 48.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.685 0.278 . . . . 0.0 111.599 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.433 ' CE1' HD23 ' A' ' 84' ' ' LEU . 24.4 m170 -108.94 163.59 13.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.02 0.438 . . . . 0.0 111.477 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.83 -36.45 3.66 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.413 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.1 -31.37 7.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 156.14 28.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.6 m 60.33 78.1 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -80.8 152.31 71.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.62 -27.38 27.21 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.583 2.189 . . . . 0.0 112.319 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -154.47 -58.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.71 -45.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.989 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -99.6 -178.78 3.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -76.98 153.6 34.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.07 -62.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.15 -156.25 16.25 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.452 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -120.61 160.22 23.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.815 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 t -75.57 -35.26 60.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.39 142.6 24.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.769 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.433 HD23 ' CE1' ' A' ' 68' ' ' HIS . 2.2 tp -179.08 -27.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.419 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.58 26.96 0.75 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.3 t -109.37 -36.86 5.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.081 0.467 . . . . 0.0 110.148 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.15 107.51 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.568 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.4 t -117.25 120.01 63.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.272 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.457 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 0.2 OUTLIER -95.45 125.92 40.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.602 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.4 mp -101.85 147.05 26.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.399 . . . . 0.0 111.313 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.55 156.53 48.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.753 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.522 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.6 mmtp -74.37 121.13 20.9 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.913 0.387 . . . . 0.0 111.024 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.63 -47.04 50.03 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.622 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.2 p -60.66 -37.19 80.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.427 ' OE2' ' CE1' ' A' ' 107' ' ' TYR . 10.3 mt-10 -68.98 -49.21 59.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 110.807 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.435 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 17.2 t -61.45 -49.28 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.105 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -55.13 -39.74 69.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.808 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.59 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.8 mm-40 -62.11 -48.55 79.66 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.231 0.538 . . . . 0.0 110.499 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.8 mt -61.89 -39.11 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.733 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 29.1 mt -66.75 -33.66 76.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.026 178.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -77.75 -14.58 59.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.957 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.64 3.81 52.61 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.624 -0.717 . . . . 0.0 112.589 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.59 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 2.0 t30 -104.22 111.43 24.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.496 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 8.0 p-10 -168.64 18.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.93 -37.67 71.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.908 0.385 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.401 ' HE2' ' CE1' ' A' ' 107' ' ' TYR . 9.0 ptmt -74.08 -22.87 59.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.136 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.496 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 25.1 m-85 -81.9 -33.13 30.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.492 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -79.18 -30.55 43.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.355 -178.833 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.403 ' O ' ' CG1' ' A' ' 110' ' ' VAL . . . -96.56 24.78 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.413 ' CG2' ' HB2' ' A' ' 48' ' ' PRO . 14.7 p 42.58 31.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.801 0.334 . . . . 0.0 111.597 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.04 -179.0 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 111.252 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.6 mp -142.02 30.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.929 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.3 p -95.66 102.84 14.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.23 117.95 5.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.53 81.22 1.99 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.63 -169.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.61 43.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mt -133.9 162.36 32.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.8 t -164.04 -43.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.054 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -94.76 -34.88 12.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.422 ' HB ' ' CE2' ' A' ' 35' ' ' TYR . 17.1 p -115.29 139.75 49.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.709 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -127.95 129.43 46.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.172 -178.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.0 -175.93 17.63 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.391 -0.909 . . . . 0.0 114.462 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -67.77 157.98 33.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.804 -0.698 . . . . 0.0 111.418 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.452 ' HD3' ' CD1' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.31 140.07 92.63 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.029 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD3' ' CD1' ' A' ' 35' ' ' TYR . 26.6 Cg_exo -63.2 159.3 39.9 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.635 2.223 . . . . 0.0 112.116 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' HB ' ' CE1' ' A' ' 68' ' ' HIS . 31.0 m -72.72 118.56 18.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.273 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.86 154.88 20.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.698 -179.535 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.2 p90 -153.29 169.34 23.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.404 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.64 127.98 49.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.464 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 68.4 mt -103.53 -31.08 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.048 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.0 147.78 46.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.016 0.436 . . . . 0.0 111.176 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.05 -11.81 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.857 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -81.06 3.53 22.94 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.38 19.47 27.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.36 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.88 117.0 18.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.546 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.404 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.6 m-85 -112.08 132.28 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.349 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.51 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 77.8 m-85 -124.03 166.53 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.606 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.403 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.37 148.12 52.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.55 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.418 ' CD1' HG22 ' A' ' 15' ' ' VAL . 18.5 mt -72.14 121.38 22.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.259 0.552 . . . . 0.0 111.258 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.84 -33.38 56.12 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.784 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.8 -40.45 88.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.209 0.528 . . . . 0.0 109.808 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.429 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 3.1 mm-40 -66.45 -45.06 81.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.687 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.48 -40.42 84.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.196 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.56 -50.22 69.14 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.91 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 18.4 p30 -62.7 -32.77 73.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.048 0.451 . . . . 0.0 110.133 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.472 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -59.61 -43.59 93.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.563 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 mp -99.96 1.4 42.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.635 179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.01 26.72 7.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.357 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.5 mtt -101.01 125.98 47.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.252 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -126.84 174.75 8.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 55.41 36.49 27.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.51 22.59 78.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.497 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.71 -33.89 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.97 -52.01 58.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -65.26 -37.42 87.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.981 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -65.99 -34.21 77.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -92.43 -11.62 34.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.214 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.503 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 72.8 m-85 -133.03 66.73 76.61 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.69 0.281 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.441 ' HB2' ' HB ' ' A' ' 110' ' ' VAL . 24.5 Cg_exo -62.73 -32.02 78.51 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.506 2.137 . . . . 0.0 112.813 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.446 ' CB ' ' HA ' ' A' ' 107' ' ' TYR . 0.6 OUTLIER -76.51 -1.36 26.91 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.503 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 3.2 tp -82.32 132.94 35.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.563 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.6 t90 -69.98 122.0 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.41 138.79 36.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.883 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.481 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 9.2 mtm180 -151.63 166.21 31.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.158 0.504 . . . . 0.0 111.893 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.75 150.37 21.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.444 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.413 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . . . -83.53 121.88 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.08 0.467 . . . . 0.0 112.166 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 p -71.98 171.88 11.03 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.706 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.522 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 21.0 t -55.73 -40.89 63.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.125 0.488 . . . . 0.0 110.794 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -47.11 63.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.301 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.412 ' O ' HG13 ' A' ' 63' ' ' ILE . 86.4 mt-10 -60.11 -45.25 93.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.077 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 1.1 ptm180 -60.94 -45.43 94.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.722 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.467 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -57.73 -38.38 75.21 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.795 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.467 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 6.5 mttt -68.51 -35.15 77.08 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.695 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 67' ' ' SER . 15.1 mt -71.17 -26.49 27.24 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.141 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.384 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 58.3 t -60.54 -50.59 79.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.26 -37.2 66.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.378 0.608 . . . . 0.0 110.154 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.513 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 6.6 m -77.57 -12.6 59.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.78 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 63' ' ' ILE . 94.4 p -53.47 -11.84 0.38 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' A' ' 67' ' ' SER . 71.1 m80 71.04 157.58 0.17 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.909 0.385 . . . . 0.0 111.116 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -151.1 21.96 0.98 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.617 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -117.12 -36.22 3.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -66.51 -31.84 72.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 62.3 m -85.11 159.44 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.95 115.72 29.12 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.73 -27.16 32.78 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.434 2.089 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -59.92 -52.61 64.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -80.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.024 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -140.56 123.86 16.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -176.6 104.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -144.99 -47.71 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.43 130.74 2.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.415 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 81' ' ' TYR . 38.2 p90 -97.2 128.73 44.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 m -145.84 15.92 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.305 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -126.57 -15.65 5.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.49 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.5 tt -78.31 0.39 25.61 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.3 -25.72 5.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.613 0.244 . . . . 0.0 111.563 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -39.2 69.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 111.044 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.35 113.02 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.413 ' HB ' ' CB ' ' A' ' 55' ' ' ALA . 3.9 t -123.9 129.04 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.13 122.48 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.613 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.4 mp -108.69 149.03 29.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.6 mp -136.07 156.68 48.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.732 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.563 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 7.6 mmtt -77.13 122.47 25.04 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.889 0.376 . . . . 0.0 110.764 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.25 -32.87 17.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.193 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.29 -42.58 96.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.428 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 2.4 mm-40 -67.13 -49.23 65.59 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.973 0.416 . . . . 0.0 110.602 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.445 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 14.7 t -61.44 -50.25 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.605 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -54.8 -39.83 68.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.932 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.627 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.4 mm-40 -62.83 -48.32 79.57 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.217 0.532 . . . . 0.0 110.688 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.3 mt -61.88 -39.41 83.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.761 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.452 ' CD1' ' HD3' ' A' ' 13' ' ' LYS . 15.3 mt -65.57 -34.43 78.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.039 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -14.68 59.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.916 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.45 3.76 53.2 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.425 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 12.4 t30 -104.2 111.31 23.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.527 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 18.2 p-10 -165.84 15.06 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -56.1 -39.22 71.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -68.87 -26.32 65.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.749 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.527 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 18.8 m-85 -82.21 -38.42 24.58 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.561 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -75.13 -17.67 60.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.51 -179.129 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.404 ' O ' ' CG1' ' A' ' 110' ' ' VAL . . . -116.01 20.07 14.65 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.441 ' HB ' ' HB2' ' A' ' 48' ' ' PRO . 14.9 p 42.64 42.37 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.949 0.404 . . . . 0.0 111.446 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.7 t -44.37 -82.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.857 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.6 mt -144.38 84.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.262 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.853 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 112.591 -0.204 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.27 94.86 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.796 0.332 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.2 ttt -126.15 -44.64 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.73 172.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.3 mtt -152.11 123.1 7.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.33 155.68 24.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.05 -46.4 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.05 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.1 m -120.67 117.61 27.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.834 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.95 -30.23 6.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.174 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.47 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 1.9 p -124.45 135.85 53.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.845 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.32 126.41 22.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.235 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.5 -170.45 28.36 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 119.742 -1.218 . . . . 0.0 112.957 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -67.67 157.05 35.47 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 14' ' ' PRO . 4.4 tppp? -68.43 145.2 97.14 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.409 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 32.0 Cg_exo -59.82 158.27 29.61 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.324 2.016 . . . . 0.0 112.071 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.419 HG22 HG13 ' A' ' 28' ' ' ILE . 12.6 m -72.76 119.21 19.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.26 0.552 . . . . 0.0 111.786 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.15 160.3 18.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.933 179.383 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.428 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 19.3 p90 -158.81 168.04 27.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.938 0.399 . . . . 0.0 111.291 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.84 128.01 49.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.507 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 mt -107.64 -22.52 12.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.208 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 3.4 mm-40 -127.02 143.92 51.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.956 0.408 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -65.72 -11.87 49.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.739 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -81.1 0.51 35.8 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.37 26.01 9.71 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.239 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 17.1 mm-40 -84.31 116.87 23.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.876 0.338 . . . . 0.0 110.67 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.5 m-85 -111.68 134.12 53.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 111.023 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 88.0 m-85 -124.95 166.52 16.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.482 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.416 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -132.75 147.21 52.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.547 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.419 HG13 HG22 ' A' ' 15' ' ' VAL . 12.3 mt -77.86 121.21 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.109 0.481 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.91 -26.43 41.02 Favored Glycine 0 C--N 1.333 0.372 0 CA-C-N 115.83 -0.623 . . . . 0.0 113.039 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.11 -42.51 99.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.084 0.469 . . . . 0.0 109.899 179.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -71.35 -41.45 69.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.071 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.8 t -62.59 -40.74 89.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.377 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.71 -50.75 59.26 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.357 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.0 p30 -64.97 -32.99 74.98 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.03 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.5 t80 -61.37 -42.95 99.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.768 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -92.91 -4.13 53.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.945 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 68.75 31.85 4.32 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.547 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.4 mmm -101.61 126.18 48.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.085 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -126.6 174.97 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.126 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.74 33.76 23.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.804 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.13 19.11 79.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.493 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -58.37 -33.82 70.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.769 0.319 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 tp -64.83 -49.24 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.753 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -71.45 -35.14 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.779 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -34.74 75.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.324 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -86.71 -18.48 31.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.73 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.498 ' CE1' ' HG2' ' A' ' 108' ' ' LYS . 99.4 m-85 -135.18 60.73 41.4 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 21.0 Cg_exo -64.96 -28.16 58.07 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.367 2.045 . . . . 0.0 112.62 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -3.77 45.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.6 tp -75.55 140.54 42.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.529 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.526 ' CH2' ' CE2' ' A' ' 26' ' ' TYR . 78.0 t90 -69.29 122.29 18.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.767 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.12 138.63 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.783 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.422 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 4.5 mtt-85 -149.69 166.03 30.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.195 0.522 . . . . 0.0 111.639 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.13 151.88 19.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.41 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.406 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . . . -107.62 133.74 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.049 0.452 . . . . 0.0 111.715 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 p -71.91 171.38 11.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.445 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.567 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 37.7 t -59.52 -33.45 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.152 0.501 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -70.48 -46.81 63.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.724 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -62.66 -47.83 81.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.96 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.567 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -60.77 -39.03 87.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.201 179.792 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -48.17 80.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -34.68 77.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.304 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.428 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 33.1 mt -59.77 -41.04 84.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.959 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 41.0 t -70.88 -49.6 49.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.663 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.33 -42.17 65.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.41 -51.23 10.35 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.67 -43.76 45.85 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -106.18 156.02 18.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.103 0.478 . . . . 0.0 111.47 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.53 -96.52 0.15 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.545 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.19 108.88 17.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.794 0.33 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -117.87 -34.83 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 p -92.87 173.19 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.993 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.419 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 14.4 mttt -69.12 -61.38 3.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 35.3 Cg_endo -65.14 108.32 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.488 2.126 . . . . 0.0 112.259 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -137.46 113.82 10.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.29 -47.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -57.23 144.87 33.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.8 105.08 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -120.84 170.64 9.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.64 -40.09 7.39 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 62.17 118.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.864 0.364 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.3 m -145.65 78.68 1.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.408 ' HB ' HD12 ' A' ' 84' ' ' LEU . 94.7 m -112.0 -23.03 10.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -149.08 62.85 1.04 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.036 0.446 . . . . 0.0 111.105 179.674 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -113.05 -27.23 8.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.372 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -36.91 69.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.6 p -158.98 113.24 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.406 ' HB ' ' CB ' ' A' ' 55' ' ' ALA . 12.6 t -111.46 127.27 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.26 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.1 p -90.89 114.46 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.232 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.3 mp -96.91 147.22 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.07 0.462 . . . . 0.0 111.626 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 11.0 mp -135.27 156.32 49.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.484 179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.49 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 15.6 mmtt -69.99 121.59 17.7 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.867 0.365 . . . . 0.0 110.824 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.89 -50.39 57.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.5 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 98' ' ' GLU . 39.5 p -56.53 -33.91 66.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.078 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.458 ' HG2' ' CE2' ' A' ' 107' ' ' TYR . 19.4 mt-10 -67.58 -49.47 63.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.921 0.391 . . . . 0.0 110.791 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.54 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 11.2 t -63.38 -34.8 69.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.314 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -45.1 95.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.326 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 1.7 mt-10 -62.03 -48.29 80.96 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.383 0.611 . . . . 0.0 110.673 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.435 HG22 ' CZ ' ' A' ' 47' ' ' TYR . 3.6 mt -61.68 -38.94 81.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.695 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 14.6 mt -65.75 -35.31 80.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.55 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.55 -15.88 58.99 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.209 0.528 . . . . 0.0 109.795 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.89 3.06 52.26 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.57 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.439 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 18.5 p-10 -105.15 110.68 23.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.477 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 22.5 p30 -160.13 8.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.405 ' HA ' ' HG3' ' A' ' 108' ' ' LYS . 8.8 mt-10 -51.67 -31.91 27.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.688 0.28 . . . . 0.0 111.403 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.429 ' HD2' ' CZ ' ' A' ' 107' ' ' TYR . 1.8 ptpp? -67.97 -33.74 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.458 ' CE2' ' HG2' ' A' ' 95' ' ' GLU . 19.5 m-85 -81.06 -31.08 34.61 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.498 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -84.86 -5.83 59.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.736 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -103.82 30.61 4.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.955 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.45 HG11 ' N ' ' A' ' 111' ' ' SER . 12.4 p -39.46 -32.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.45 ' N ' HG11 ' A' ' 110' ' ' VAL . 0.3 OUTLIER 63.3 136.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.0 110.973 179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 2.9 mt -112.61 36.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.04 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.6 p . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.936 -179.89 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.167 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 m -111.33 136.78 49.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 60.83 174.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.29 120.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.55 96.96 4.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.67 110.84 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.22 135.82 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -144.96 156.36 43.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.409 ' O ' ' CE1' ' A' ' 10' ' ' PHE . 23.9 mmtm 63.84 -76.29 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.406 HG23 HD22 ' A' ' 100' ' ' LEU . 4.3 p -96.29 135.96 37.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.74 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -128.89 129.84 46.05 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -178.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.43 -175.39 18.87 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.453 -0.88 . . . . 0.0 114.51 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -67.77 158.09 33.22 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 114.729 -0.736 . . . . 0.0 111.437 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.444 ' HD2' ' CD1' ' A' ' 100' ' ' LEU . 0.7 OUTLIER -68.29 141.55 93.8 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.069 -179.579 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 24.1 Cg_exo -64.43 160.22 40.4 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.596 2.197 . . . . 0.0 112.288 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.401 ' CG2' ' HG3' ' A' ' 31' ' ' GLU . 26.4 m -72.66 117.8 16.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.271 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.67 156.74 18.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.587 -179.358 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.408 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 24.5 p90 -155.4 166.48 33.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.85 127.86 49.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.384 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mt -108.94 -25.72 10.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.171 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -120.1 143.84 47.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.892 0.377 . . . . 0.0 111.013 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -66.69 -12.06 56.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.713 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -81.33 -0.02 39.18 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.1 25.98 9.18 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.432 -0.89 . . . . 0.0 113.135 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -82.32 116.73 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 0.0 110.573 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.431 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 7.1 m-85 -111.0 131.75 54.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.172 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.531 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 88.2 m-85 -124.63 166.5 16.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.662 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -130.99 148.79 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.42 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 14.4 mt -75.44 123.31 31.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-O 121.333 0.587 . . . . 0.0 111.238 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.9 -29.94 52.12 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.891 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 72.7 m -61.88 -41.27 97.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.213 0.53 . . . . 0.0 109.828 179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.439 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 3.1 mm-40 -67.52 -44.68 77.83 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.812 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.8 t -60.79 -40.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.089 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.22 69.2 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.968 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 18.8 p30 -62.64 -32.88 74.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.424 . . . . 0.0 110.118 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -59.55 -43.51 93.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.474 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.7 mp -99.61 1.29 43.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.687 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.73 26.35 9.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.39 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 125.93 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.32 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -126.9 174.43 8.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 54.75 43.4 30.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.967 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.86 21.74 71.56 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.554 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -66.4 -33.78 76.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.821 0.343 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.5 tp -64.84 -50.71 65.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.761 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -66.36 -36.45 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -37.64 88.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.608 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.36 -12.75 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.167 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.447 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.6 m-85 -135.36 62.76 52.1 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.746 0.308 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 39.4 Cg_exo -60.5 -31.98 93.09 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.661 2.241 . . . . 0.0 112.913 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -14.88 61.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.453 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.447 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 3.6 tp -67.2 132.97 48.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 111.115 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.575 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 68.1 t90 -69.84 117.3 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.56 138.89 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 6.4 ptt180 -152.84 156.63 39.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.841 0.353 . . . . 0.0 111.208 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.86 153.09 27.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . . . -108.85 135.35 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.03 0.443 . . . . 0.0 111.627 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.424 ' N ' ' HB2' ' A' ' 59' ' ' GLU . 6.2 p -74.84 171.42 14.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.807 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 39.5 t -54.3 -49.24 65.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.333 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.09 -38.31 88.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.208 0.528 . . . . 0.0 109.684 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' HB2' ' N ' ' A' ' 56' ' ' THR . 17.7 mt-10 -61.27 -46.92 88.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.758 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -60.88 -38.4 85.51 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.672 0.272 . . . . 0.0 110.299 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.503 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 10.5 mttp -58.17 -48.71 79.43 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -68.1 -34.7 76.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.352 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.408 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 30.8 mt -61.2 -51.27 75.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.4 t -62.64 -46.87 95.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.681 -179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.14 -45.09 61.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.1 m -74.47 -51.18 15.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.779 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -72.76 -56.07 5.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.507 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -97.36 163.76 12.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.641 -179.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 163.94 72.43 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.345 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.0 mptt 62.42 114.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.774 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.94 -177.06 6.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.64 103.4 5.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.9 147.15 63.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.84 -27.78 36.12 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.541 2.161 . . . . 0.0 112.323 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -80.82 120.33 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.58 -37.1 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -87.22 -34.06 19.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.17 161.64 15.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -129.9 107.61 9.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -111.35 63.68 0.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -84.01 -29.64 26.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.755 0.312 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.58 77.72 3.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.805 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.4 m -122.79 -1.96 8.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.527 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -149.94 77.96 1.33 Allowed 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.85 0.357 . . . . 0.0 111.179 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -123.82 -36.03 2.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.332 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.92 -32.44 67.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.673 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -159.13 108.03 1.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.405 ' HB ' ' CB ' ' A' ' 55' ' ' ALA . 29.0 t -111.21 122.32 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.751 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.7 p -90.85 121.06 32.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.684 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.2 mp -101.82 146.07 28.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.9 mp -136.49 150.47 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.398 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.575 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 5.5 mmmt -73.67 122.44 22.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.896 0.379 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.83 -34.02 18.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.362 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.4 m -63.1 -42.65 99.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.436 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 1.5 mm-40 -68.01 -49.42 61.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.913 0.387 . . . . 0.0 110.694 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.437 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 21.4 t -61.82 -50.09 81.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.825 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -54.73 -42.18 71.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.741 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.524 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -60.82 -48.54 81.34 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.983 0.42 . . . . 0.0 110.938 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mt -61.97 -39.26 83.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.449 HD23 ' CE2' ' A' ' 35' ' ' TYR . 6.5 mt -63.91 -36.97 85.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.094 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -77.38 -14.06 59.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.24 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.33 3.83 53.53 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.557 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.524 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -104.16 110.86 23.21 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 177.822 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.479 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 14.0 p-10 -164.21 15.59 0.05 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.81 -44.1 69.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.999 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -29.44 70.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.552 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 18.4 m-85 -80.24 -43.93 20.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.358 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -69.5 -11.96 61.26 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.135 -179.688 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.442 ' O ' ' HB ' ' A' ' 110' ' ' VAL . . . -95.01 23.16 5.83 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.442 ' HB ' ' O ' ' A' ' 109' ' ' ALA . 95.6 t 69.97 -55.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.899 0.38 . . . . 0.0 111.414 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.5 m -133.79 164.62 26.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.5 mt -72.7 -32.5 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.062 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.3 121.26 25.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.5 ttp -79.09 -68.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.75 151.68 22.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.9 mtm -171.79 35.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.38 150.84 20.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -142.94 117.1 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.35 170.89 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -128.03 107.38 9.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.786 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.509 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 4.1 p -151.83 141.06 21.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.581 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.432 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -138.14 126.29 22.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.512 -179.699 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.38 -170.81 28.85 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.976 -1.107 . . . . 0.0 112.988 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -67.91 157.01 35.93 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -68.78 142.38 93.65 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 27.0 Cg_exo -60.23 162.32 17.38 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.124 1.883 . . . . 0.0 111.679 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.41 HG22 HG13 ' A' ' 28' ' ' ILE . 24.3 m -75.86 120.87 26.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.366 0.603 . . . . 0.0 112.282 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.479 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -114.03 152.04 31.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.712 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -152.41 169.23 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 111.262 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.459 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -102.92 128.2 49.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.379 179.691 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -109.03 -19.87 13.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.459 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 3.1 mm-40 -129.24 143.96 51.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 111.212 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.56 -12.02 29.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.989 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -81.22 3.08 25.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.3 10.21 56.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.541 -0.838 . . . . 0.0 113.359 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 2.0 tt0 -69.22 116.7 9.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.766 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.459 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 5.4 m-85 -111.32 132.86 54.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.206 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.508 ' CE2' ' HD3' ' A' ' 92' ' ' LYS . 85.4 m-85 -122.85 166.58 14.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.617 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.479 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 6.3 mtm -133.81 148.28 51.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.452 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.41 HG13 HG22 ' A' ' 15' ' ' VAL . 11.5 mt -75.0 119.29 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.082 0.468 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.61 -32.06 53.36 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.78 -0.646 . . . . 0.0 113.111 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.6 p -62.48 -39.64 94.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 2.7 mm-40 -69.08 -40.49 78.4 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.055 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.1 t -66.03 -40.76 88.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.472 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.0 -50.75 64.06 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.402 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 9.2 p30 -65.26 -33.07 75.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.031 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.509 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 5.0 t80 -59.82 -42.78 94.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.719 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -95.27 -3.41 47.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.883 179.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.61 29.69 5.35 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.289 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -102.28 126.07 49.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.14 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -126.59 175.13 8.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 58.72 42.74 19.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.005 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.37 25.08 62.26 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.426 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -64.99 -33.9 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tp -64.81 -45.74 84.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.95 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -70.54 -39.14 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -41.31 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.749 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -75.19 -28.06 59.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.882 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.518 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 58.9 m-85 -125.56 73.83 68.88 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.69 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.39 -29.14 62.87 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.543 2.162 . . . . 0.0 112.277 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.15 -2.65 45.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.435 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.3 tp -78.84 131.69 36.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 111.246 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.593 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 71.4 t90 -69.97 116.15 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -139.6 138.34 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.697 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.593 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.56 163.31 40.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 111.586 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.26 135.37 38.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.459 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.96 143.48 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.957 0.408 . . . . 0.0 111.644 -179.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.432 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.9 p -72.98 168.49 18.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.095 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.7 t -53.64 -39.34 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.181 0.515 . . . . 0.0 110.326 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -68.33 -44.39 75.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.073 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -60.51 -44.19 96.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.601 179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 56' ' ' THR . 7.0 mtm-85 -61.02 -43.54 98.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.436 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -44.52 85.84 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -34.82 77.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.971 178.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.448 ' O ' ' CB ' ' A' ' 67' ' ' SER . 29.5 mt -59.72 -44.0 92.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.696 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 22.2 t -62.58 -49.97 81.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.577 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.71 -45.1 60.51 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.28 -51.41 15.36 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 5.3 t -64.65 -56.06 16.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.646 0.26 . . . . 0.0 111.58 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.423 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -174.27 -92.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.247 -179.49 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 81' ' ' TYR . . . 108.89 -44.59 1.46 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.419 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -90.67 -31.95 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -76.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.1 p 56.81 -178.38 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.033 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -59.05 109.76 2.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.85 62.27 3.88 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.383 2.055 . . . . 0.0 112.278 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -147.92 -47.47 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.9 p -57.83 177.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -83.32 116.6 22.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 59.53 176.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -113.3 100.09 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -106.86 151.48 16.89 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.54 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.447 ' CD2' ' N ' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -117.84 -0.04 11.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.522 0.201 . . . . 0.0 111.225 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 t -57.22 -37.38 72.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.787 0.327 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.418 ' O ' ' HB2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -126.94 123.03 36.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.736 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 83' ' ' THR . 0.7 OUTLIER 178.12 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.855 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.71 45.32 1.26 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.452 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -112.06 -37.17 5.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 110.607 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.4 p -159.04 108.59 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.551 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 33.2 t -122.38 124.02 69.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.294 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.9 131.39 36.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.307 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -114.12 145.2 41.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.025 0.44 . . . . 0.0 111.54 -179.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 mp -136.36 154.07 50.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.467 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.56 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 13.7 mmtt -76.31 122.27 24.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 110.792 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.94 -32.84 22.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.98 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.419 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 7.6 t -64.19 -42.54 96.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.446 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 1.8 mm-40 -67.1 -49.28 65.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.478 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 7.1 t -62.82 -40.41 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.886 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.43 -45.62 91.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.723 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.462 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.1 mm-40 -61.41 -48.01 83.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mt -61.4 -39.28 82.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.974 0.416 . . . . 0.0 109.91 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 12.2 mt -65.4 -35.67 81.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.837 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -77.89 -13.11 59.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.227 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.18 3.86 53.98 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.702 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.462 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 55.9 t30 -104.31 111.18 23.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.515 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.8 p-10 -164.87 15.96 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.388 -0.525 . . . . 0.0 112.407 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.51 -43.88 76.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.932 0.396 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -25.38 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.515 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 16.9 m-85 -83.75 -46.03 12.69 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.355 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -66.09 -14.58 61.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.373 -179.422 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.01 24.09 11.72 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.7 p 42.79 39.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.857 0.361 . . . . 0.0 111.601 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.8 t -52.35 123.8 11.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.177 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 24.8 mm -106.67 -33.51 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.919 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.29 140.18 46.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.7 mtt -75.53 169.27 18.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.9 mtt -105.56 34.11 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.1 mtt -139.43 30.83 2.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -131.57 131.56 43.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.9 mt -121.06 129.23 53.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.35 127.07 7.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm 71.63 7.12 5.89 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.557 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.487 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 3.0 p -141.19 135.78 31.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.714 0.293 . . . . 0.0 110.657 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.35 126.59 22.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.309 -179.689 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.68 -170.24 27.92 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 119.783 -1.199 . . . . 0.0 112.916 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -67.41 156.93 35.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 14' ' ' PRO . 1.0 OUTLIER -68.58 145.27 96.99 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.291 . . . . 0.0 110.227 -179.226 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 31.6 Cg_exo -59.74 156.96 34.9 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.334 2.023 . . . . 0.0 112.069 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.41 HG22 HG13 ' A' ' 28' ' ' ILE . 14.2 m -72.87 116.1 14.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.549 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -108.55 155.83 20.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.872 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.45 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 26.2 p90 -152.92 167.65 28.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.421 . . . . 0.0 111.45 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.416 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -103.06 127.92 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.436 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.1 mt -108.78 -25.95 10.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.085 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -120.67 143.88 48.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -66.53 -12.18 56.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.714 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -0.16 39.88 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.58 22.88 10.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.094 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -78.56 116.87 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.547 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.416 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 7.1 m-85 -111.6 133.72 53.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.053 0.454 . . . . 0.0 111.03 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 82.1 m-85 -124.84 166.67 15.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.475 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.422 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.62 145.35 51.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.478 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.41 HG13 HG22 ' A' ' 15' ' ' VAL . 13.2 mt -75.46 121.9 28.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.733 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.77 -27.33 43.13 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.035 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.73 -42.31 99.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.17 0.509 . . . . 0.0 109.941 179.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.4 ' HG3' ' CG2' ' A' ' 15' ' ' VAL . 2.7 mm-40 -70.83 -43.27 68.9 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.18 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.0 t -61.51 -40.67 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.5 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.48 -50.72 60.04 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 20.0 p30 -66.63 -33.03 74.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.002 0.43 . . . . 0.0 110.381 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.487 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 5.3 t80 -60.89 -42.9 98.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.782 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -94.82 -4.1 47.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 68.66 31.1 4.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.527 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.7 mmt -101.35 126.1 48.07 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.77 175.04 8.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.171 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 57.84 44.41 20.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.809 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.28 19.53 46.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -57.42 -33.9 68.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.87 -52.06 58.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -68.69 -38.56 80.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -33.57 73.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -88.96 -17.71 28.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.27 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.451 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 89.6 m-85 -131.17 69.36 82.27 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.0 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.403 ' HB2' ' CG2' ' A' ' 110' ' ' VAL . 25.1 Cg_exo -62.58 -32.13 79.65 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.645 2.23 . . . . 0.0 112.801 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.421 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . 0.5 OUTLIER -75.69 -5.06 43.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.395 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 4.0 tp -77.03 134.79 38.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 111.083 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.644 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 64.8 t90 -75.93 120.23 20.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.7 138.56 36.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.839 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.644 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.16 158.04 39.76 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 111.495 179.413 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.53 136.7 33.3 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -86.9 133.91 33.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.061 0.457 . . . . 0.0 111.838 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.2 p -72.68 171.5 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.38 179.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.485 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 24.5 t -53.89 -49.29 60.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.104 0.478 . . . . 0.0 110.445 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.56 -41.2 98.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.765 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -59.61 -45.23 92.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.68 179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -60.86 -38.72 86.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.739 0.304 . . . . 0.0 110.231 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 9.5 mttp -58.26 -48.5 80.23 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -67.97 -34.7 77.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.419 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.45 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 31.3 mt -60.28 -51.25 75.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.11 -44.83 99.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.579 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.19 -43.87 63.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.054 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.8 m -78.9 -51.37 9.77 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 2.6 t -69.63 -47.35 63.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.729 0.299 . . . . 0.0 111.471 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.7 m80 -108.29 157.94 17.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.051 0.453 . . . . 0.0 111.517 -179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.83 91.75 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.573 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.9 110.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.388 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -118.69 -39.17 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.008 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.4 125.98 11.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.818 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt 61.27 160.39 0.11 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.6 143.99 70.71 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.56 2.173 . . . . 0.0 112.301 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -100.49 147.31 26.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.3 p -142.31 -77.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.53 -32.58 11.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.23 172.9 6.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.94 -73.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.38 58.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.57 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -156.6 135.39 11.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.02 -65.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.55 130.89 30.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.5 tp -175.93 37.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -133.71 -39.81 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.475 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.88 -27.5 62.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.02 108.31 1.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.393 . . . . 0.0 111.127 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.0 t -117.94 119.91 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.607 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 p -92.0 116.72 29.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.428 HD11 ' HG3' ' A' ' 53' ' ' ARG . 2.3 mp -100.54 147.4 25.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.4 mp -134.31 157.07 47.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.555 179.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.507 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.1 mmtp -73.15 121.88 20.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.863 0.364 . . . . 0.0 110.717 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.17 -43.18 52.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.518 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.45 -37.8 82.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.441 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -68.22 -49.37 61.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.43 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 21.3 t -62.3 -50.89 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -38.53 67.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.838 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.617 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.4 mm-40 -63.09 -48.85 76.85 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.267 0.556 . . . . 0.0 110.448 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.2 mt -62.91 -39.19 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 18.2 mt -65.24 -34.39 78.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.905 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.82 -15.21 59.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.933 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.41 3.95 53.23 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.519 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.617 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 8.4 t30 -104.41 111.24 23.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.474 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 13.9 p-10 -164.41 14.05 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -55.24 -38.14 68.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.796 0.331 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.415 ' HE2' ' CE1' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -68.71 -28.41 66.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.474 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 23.7 m-85 -80.19 -46.12 16.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.408 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -65.15 -14.97 61.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.5 -179.157 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -115.98 23.58 12.11 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.421 ' HA ' ' CB ' ' A' ' 49' ' ' SER . 12.6 p 42.89 30.68 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.839 0.352 . . . . 0.0 111.546 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 t -84.69 165.96 17.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.6 mm -103.55 -32.8 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.147 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 p -170.24 35.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.4 mmt -81.97 -176.6 6.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.5 ttm -73.49 175.51 6.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -145.41 159.5 42.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.54 175.56 9.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -109.15 -176.7 3.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -158.77 143.0 15.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' O ' ' CZ ' ' A' ' 10' ' ' PHE . 19.5 mmtm -64.65 -17.1 63.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.497 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.4 p -92.79 141.34 28.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.787 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.434 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.16 126.31 22.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.418 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.29 -170.83 28.99 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.854 -1.165 . . . . 0.0 113.004 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -67.74 156.99 35.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HG3' ' HD2' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -68.85 144.56 96.0 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -179.388 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 31.5 Cg_exo -59.71 156.79 35.68 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.264 1.976 . . . . 0.0 111.76 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.402 HG22 HG13 ' A' ' 28' ' ' ILE . 13.6 m -72.75 118.23 17.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 CA-C-O 121.22 0.533 . . . . 0.0 111.62 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.58 159.93 17.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.759 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.427 ' CZ ' HD22 ' A' ' 90' ' ' LEU . 16.4 p90 -159.26 169.14 24.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.901 0.381 . . . . 0.0 111.292 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.461 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.99 128.41 49.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.598 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.414 ' CD1' HD23 ' A' ' 90' ' ' LEU . 4.3 mt -109.04 -17.13 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.489 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 11.7 mm-40 -132.47 143.87 50.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -65.07 -11.91 44.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.852 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.17 1.53 31.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.86 26.01 12.28 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.296 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.2 mt-10 -84.97 116.8 23.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.351 . . . . 0.0 110.599 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.461 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -110.81 132.32 54.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.223 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 87.0 m-85 -123.47 166.59 15.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.52 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.416 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -131.63 150.89 52.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.305 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.402 HG13 HG22 ' A' ' 15' ' ' VAL . 12.0 mt -78.97 121.84 32.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.008 0.432 . . . . 0.0 110.89 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.84 -32.48 55.36 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.906 -0.588 . . . . 0.0 113.065 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.6 m -60.86 -39.69 90.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.094 0.473 . . . . 0.0 109.926 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.82 -43.58 71.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.2 179.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 21.7 t -62.43 -40.91 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.551 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.25 -50.65 63.02 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 11.1 p30 -66.43 -33.05 74.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.032 0.444 . . . . 0.0 110.252 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.497 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 4.4 t80 -59.69 -43.11 94.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.82 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mt -95.13 -4.32 46.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? 68.53 32.18 4.49 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.496 179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 33.6 mtp -101.49 126.14 48.24 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -126.73 174.88 8.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.193 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 55.59 44.19 27.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.99 18.83 58.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.446 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -60.27 -34.05 73.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.875 0.369 . . . . 0.0 110.819 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.99 -52.08 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.415 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 11.1 m-85 -65.5 -39.01 91.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.81 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -41.9 98.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.73 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.66 -15.32 52.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.122 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.504 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 68.7 m-85 -133.78 66.74 73.68 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.401 ' HB2' ' HB ' ' A' ' 110' ' ' VAL . 24.9 Cg_exo -62.77 -30.33 77.92 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.595 2.196 . . . . 0.0 112.632 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.34 3.81 19.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.537 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 9.2 tp -80.04 132.31 35.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.853 0.359 . . . . 0.0 111.277 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.568 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 68.5 t90 -71.19 116.2 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.415 ' HD3' ' CD2' ' A' ' 44' ' ' TYR . 46.8 ptt85 -139.5 138.71 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.179 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.488 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -154.35 150.29 27.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.163 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 137.98 36.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.413 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -87.67 136.3 33.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.467 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.47 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.5 p -71.95 166.25 22.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.421 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.51 -41.25 44.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.009 0.433 . . . . 0.0 110.513 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.35 -43.87 84.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.837 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.93 -44.48 94.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.442 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 56' ' ' THR . 36.8 mtm-85 -60.99 -40.2 92.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.286 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -57.69 -48.58 79.13 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -67.98 -34.88 77.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.123 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.4 ' O ' ' CB ' ' A' ' 67' ' ' SER . 30.0 mt -60.85 -51.3 74.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.972 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 23.3 t -61.45 -42.01 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.525 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.38 -45.05 61.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.039 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.2 m -79.24 -51.25 9.73 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.407 ' OG ' ' CD2' ' A' ' 17' ' ' PHE . 8.5 m -61.93 -56.12 22.45 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.423 ' ND1' ' N ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -173.89 -91.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.937 -179.213 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.72 96.17 0.12 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.98 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.5 -23.51 0.23 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt 62.52 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.0 p -110.54 154.01 24.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.774 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -78.39 113.49 34.54 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -57.16 -162.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.468 2.112 . . . . 0.0 112.295 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -88.46 -65.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 57.8 p -63.51 179.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -112.61 152.46 28.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.48 -45.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 65.33 36.18 7.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.34 131.84 2.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.429 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -96.93 163.32 13.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 t -168.63 37.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.1 p -81.0 -41.36 22.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -167.03 46.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.97 21.74 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.576 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 m -112.1 -39.03 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 p -159.12 111.31 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.6 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 34.7 t -117.85 128.27 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.343 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.6 p -90.87 129.49 36.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.016 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.427 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -104.71 144.55 31.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.079 0.466 . . . . 0.0 111.639 -179.19 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 4.6 mp -140.98 150.53 43.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.287 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.568 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 3.6 mmmp? -77.59 122.34 25.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.86 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.49 -32.85 19.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.234 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 82.8 p -63.82 -42.68 97.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.46 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 1.2 mm-40 -68.08 -49.39 61.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 110.663 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.439 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 3.9 t -62.65 -51.24 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.661 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.02 -38.75 68.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.82 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.634 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.2 mm-40 -63.0 -48.79 77.3 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.223 0.535 . . . . 0.0 110.564 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.2 mt -62.72 -39.35 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 19.1 mt -65.41 -34.28 77.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.055 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.72 -15.34 59.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.853 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.47 3.68 53.2 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.481 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.634 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 6.8 t30 -104.5 111.13 23.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.453 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 8.0 p-10 -165.2 14.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -54.98 -38.57 67.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.83 0.347 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -67.76 -29.44 68.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.691 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.453 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.5 m-85 -78.83 -38.49 37.93 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.228 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -76.17 -6.82 53.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.078 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -115.99 12.87 15.8 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 48' ' ' PRO . 12.4 p 43.65 32.48 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.785 0.326 . . . . 0.0 111.662 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.6 p -134.73 161.75 34.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.116 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 19.4 mm -135.14 30.54 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.0 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.927 -179.88 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 m -95.54 136.9 35.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.7 mtt -115.82 -42.64 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.1 ptt? -76.55 167.4 21.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.9 mtt 59.93 170.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.56 40.03 24.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.073 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mt -106.68 -178.17 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.37 147.4 25.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.25 107.74 18.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.78 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.521 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 4.2 p -151.4 135.56 16.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.703 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.76 126.54 22.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.577 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.09 -170.82 29.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 119.9 -1.143 . . . . 0.0 113.096 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -67.84 156.78 36.33 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -68.7 139.87 91.52 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.399 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.412 ' CB ' ' HB3' ' A' ' 31' ' ' GLU . 11.0 Cg_endo -59.55 162.48 15.0 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.383 2.056 . . . . 0.0 112.114 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.508 HG22 HG13 ' A' ' 28' ' ' ILE . 12.9 m -72.34 119.12 18.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 121.453 0.644 . . . . 0.0 112.405 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -115.72 154.33 29.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.28 178.736 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.418 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 14.3 p90 -156.7 169.22 25.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.991 0.424 . . . . 0.0 111.663 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.437 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.91 129.96 49.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.216 179.391 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -109.64 -18.35 13.5 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 4.8 mm-40 -133.06 145.73 51.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.059 0.457 . . . . 0.0 111.378 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -63.57 -11.88 28.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.043 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -80.9 1.24 31.76 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.63 23.06 22.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.382 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.498 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 3.7 mt-10 -80.46 116.72 20.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 0.0 110.606 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.437 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.7 m-85 -110.05 134.59 51.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 91.9 m-85 -128.7 166.56 18.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.551 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.407 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.93 146.96 51.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.389 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.508 HG13 HG22 ' A' ' 15' ' ' VAL . 19.0 mt -73.28 121.71 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.652 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.5 -33.13 53.62 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.13 -0.557 . . . . 0.0 113.163 -178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.5 p -63.23 -38.56 91.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.125 0.488 . . . . 0.0 110.048 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.428 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 3.2 mm-40 -71.73 -43.5 65.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.444 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.4 t -63.89 -40.74 90.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.073 179.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.26 -50.45 67.47 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.027 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 19.4 p30 -62.51 -33.21 74.43 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.137 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.521 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 4.7 t80 -61.27 -43.07 99.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.781 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -91.85 -3.49 56.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.892 179.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.43 29.97 5.53 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.301 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.5 mtt -101.12 126.35 47.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.117 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -126.56 172.5 10.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.123 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? 57.74 44.16 20.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.57 21.5 62.73 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.361 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -61.57 -33.98 74.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.766 0.317 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 tp -64.84 -49.47 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -71.79 -30.45 65.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -41.37 71.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.405 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.429 ' C ' ' HD3' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -81.06 -20.83 40.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.839 179.547 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.584 ' CE1' ' HG2' ' A' ' 108' ' ' LYS . 25.8 m-85 -127.9 62.56 57.34 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.432 ' HG2' ' CG2' ' A' ' 110' ' ' VAL . 32.9 Cg_exo -62.73 -23.49 74.53 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.41 2.074 . . . . 0.0 112.913 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 p -87.32 8.04 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 2.5 tp -89.46 140.13 29.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 111.117 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.535 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 70.9 t90 -69.92 119.34 13.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.43 138.16 36.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.582 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.535 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.53 157.58 38.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.301 . . . . 0.0 111.307 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -97.4 130.74 44.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.706 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -82.25 149.09 28.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.437 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.464 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 16.8 p -71.89 167.47 19.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.278 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.0 t -53.49 -36.79 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.165 0.507 . . . . 0.0 110.144 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.77 -42.83 73.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.843 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -61.31 -45.81 92.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.512 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 56' ' ' THR . 8.0 mtm-85 -60.96 -41.94 97.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.423 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -57.72 -45.12 86.21 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -68.24 -34.66 76.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.061 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.418 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 33.8 mt -59.73 -43.57 91.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 38.7 t -70.86 -49.51 49.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.815 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.32 -45.01 61.83 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 t -76.74 -51.39 11.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.418 ' OG ' ' CD2' ' A' ' 17' ' ' PHE . 0.9 OUTLIER -79.69 -56.18 4.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.656 0.265 . . . . 0.0 111.465 -179.148 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -88.79 177.16 6.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.88 0.371 . . . . 0.0 111.158 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 149.29 -89.36 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.362 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.3 -29.27 7.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.74 -179.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.3 p -111.77 93.2 4.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -149.61 140.59 14.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.783 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.72 -28.37 9.76 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.518 2.145 . . . . 0.0 112.308 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -135.83 138.99 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.5 p -117.18 148.36 41.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.09 -33.44 7.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.0 156.27 22.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -81.79 -45.04 16.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.79 -163.63 11.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -90.63 173.49 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.823 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.31 -40.48 2.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.33 144.78 11.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.8 tp -177.85 -36.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.55 -13.58 59.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.726 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.36 -39.21 68.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 86.0 p -159.11 122.26 3.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.8 t -130.09 119.8 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.426 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.443 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 36.1 p -90.98 134.22 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.073 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.6 mp -114.07 146.41 40.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.998 0.427 . . . . 0.0 111.882 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.6 mt -134.18 154.47 51.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.392 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.523 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.1 mmtp -71.41 121.41 18.53 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.934 0.397 . . . . 0.0 110.946 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.16 -53.17 22.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.857 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.6 m -56.76 -34.1 67.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.422 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 6.0 mt-10 -68.64 -49.16 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 0.0 110.755 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.465 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 12.8 t -63.76 -40.23 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.248 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.1 -44.71 87.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.805 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.0 mm-40 -63.15 -48.05 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.627 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.422 HG22 ' CE1' ' A' ' 47' ' ' TYR . 5.0 mt -61.13 -39.04 81.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 15.6 mt -67.32 -35.05 78.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.025 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -77.82 -12.51 59.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.31 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.39 3.55 53.52 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.695 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.427 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 7.9 t30 -104.39 110.86 23.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.425 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.1 p-10 -169.62 19.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.327 -0.549 . . . . 0.0 112.457 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.75 -33.41 68.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.151 0.501 . . . . 0.0 109.983 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -74.31 -27.76 60.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.736 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.425 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 27.4 m-85 -81.92 -32.79 30.72 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.109 0.48 . . . . 0.0 110.524 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.584 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 12.1 mtpt -88.62 -7.58 56.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.258 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.29 23.12 8.71 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.432 ' CG2' ' HG2' ' A' ' 48' ' ' PRO . 18.6 t 45.72 28.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.777 0.322 . . . . 0.0 111.489 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.8 m -102.39 109.23 20.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.3 tt -111.72 46.91 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 t -62.95 -44.24 96.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 44.9 mmm -104.07 -40.72 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.4 mtm 60.47 109.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.8 ptm -120.63 108.78 14.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.98 117.91 35.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.992 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.4 mt -123.68 179.45 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.72 -167.17 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.717 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.66 -37.57 3.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.085 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.485 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 4.7 p -131.41 138.5 49.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.71 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.13 126.28 22.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.456 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.47 -170.73 28.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 119.992 -1.099 . . . . 0.0 112.962 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -67.9 156.96 36.01 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.79 144.89 96.46 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 120.682 0.277 . . . . 0.0 110.281 -179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.94 158.48 29.25 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.395 2.064 . . . . 0.0 112.15 -179.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.403 ' CG2' ' HG3' ' A' ' 31' ' ' GLU . 17.4 m -72.85 116.99 15.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.639 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -108.75 159.45 16.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.749 179.276 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.429 ' CZ ' HD22 ' A' ' 90' ' ' LEU . 26.0 p90 -156.8 166.03 34.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 0.0 111.38 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.93 127.84 49.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.58 179.691 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.9 mt -107.28 -27.12 10.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.028 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.7 143.92 48.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.37 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.25 -12.03 53.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.807 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -81.11 -0.44 40.08 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.28 26.02 8.51 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.239 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.62 116.95 22.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 110.492 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.5 m-85 -112.16 132.15 55.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.375 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 82.5 m-85 -122.99 166.67 14.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.494 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -132.2 147.81 52.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.465 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.402 ' CD1' HG22 ' A' ' 15' ' ' VAL . 12.6 mt -78.26 122.07 32.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.013 0.435 . . . . 0.0 110.904 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.8 -26.22 39.49 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 115.903 -0.589 . . . . 0.0 113.026 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.1 p -62.56 -42.96 99.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.242 0.544 . . . . 0.0 109.843 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' CG2' ' A' ' 15' ' ' VAL . 2.3 mm-40 -71.32 -41.45 69.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.091 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.0 t -61.76 -40.9 88.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.387 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.88 -50.74 58.98 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.349 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.1 p30 -64.95 -32.95 74.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.131 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.494 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.4 t80 -61.62 -42.88 99.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.829 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mt -92.96 -3.91 53.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.969 179.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.78 30.86 4.67 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.842 0.353 . . . . 0.0 111.319 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.0 mtt -103.28 126.2 50.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.112 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.71 175.04 8.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.168 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 58.53 42.87 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.761 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.5 20.79 52.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -61.6 -33.96 74.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.2 tp -64.97 -51.98 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.798 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -64.8 -37.13 86.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -39.63 77.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.646 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -82.82 -12.94 57.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.079 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.577 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 73.1 m-85 -134.89 63.42 58.08 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.032 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.421 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 35.2 Cg_exo -62.34 -31.69 81.53 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.729 2.286 . . . . 0.0 112.757 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.34 -5.26 48.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.757 0.313 . . . . 0.0 111.326 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.577 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 8.8 tp -74.47 134.09 42.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.221 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.572 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 67.9 t90 -70.01 115.06 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.664 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -139.56 138.14 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.721 0.295 . . . . 0.0 110.986 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.454 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -154.72 166.06 34.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.005 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.41 142.64 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.555 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -92.29 141.75 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.413 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.533 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.3 p -71.81 166.89 21.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.893 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.9 t -53.32 -39.07 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 110.525 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 61' ' ' LYS . 1.1 mp0 -69.77 -42.42 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.124 179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -63.62 -40.7 97.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.814 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.533 ' HG3' ' O ' ' A' ' 56' ' ' THR . 11.1 mtm-85 -63.83 -46.17 86.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.599 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -57.92 -43.36 86.21 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.468 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -68.86 -34.36 75.33 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.139 0.495 . . . . 0.0 110.024 178.497 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.428 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 13.7 mt -59.56 -44.08 92.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.184 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.9 t -67.91 -48.09 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.574 -179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.97 -37.08 69.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.708 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.6 t -79.04 -50.99 10.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.456 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.401 ' CB ' ' HB3' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -79.1 -56.06 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.388 . . . . 0.0 111.306 -179.635 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -93.23 177.84 5.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.37 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 123.15 -49.99 0.87 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -26.53 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.95 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.89 141.56 50.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 p -142.21 113.76 7.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -163.79 94.64 1.04 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.99 121.97 8.84 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.5 2.133 . . . . 0.0 112.253 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -166.0 36.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 21.6 p -107.33 -78.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.032 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -138.4 -46.35 0.51 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.19 164.21 34.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -65.7 130.88 44.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.99 128.96 1.19 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.427 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 82' ' ' THR . 40.3 p90 -172.14 -40.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.448 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 10.6 t -56.66 -34.52 67.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 86.7 m -115.67 -75.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.753 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 tp 46.9 51.3 12.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.169 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -129.38 37.17 4.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.226 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.7 t -112.06 -39.53 4.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.0 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 63.9 p -159.53 113.05 2.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 55.3 t -130.12 119.79 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.2 p -91.04 117.7 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.429 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 2.0 mp -96.95 149.5 21.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.178 0.513 . . . . 0.0 111.565 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.414 ' CD2' ' CD2' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -138.57 149.66 45.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.924 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.572 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 6.8 mmtt -71.98 121.96 20.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.078 0.466 . . . . 0.0 110.918 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.07 -32.9 23.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 p -63.8 -42.63 97.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.021 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.473 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 1.0 OUTLIER -67.89 -49.39 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.519 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.441 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 22.9 t -61.43 -46.59 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.656 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.21 -44.89 75.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.957 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.55 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 8.4 mm-40 -61.15 -48.03 83.46 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.998 0.428 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.2 mt -61.31 -39.14 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.441 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 16.1 mt -65.23 -35.75 82.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.955 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.95 -13.41 59.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.158 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.24 3.73 53.88 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.622 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.55 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 5.3 t30 -104.3 111.33 23.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.498 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 6.8 p-10 -166.62 16.71 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.282 -0.567 . . . . 0.0 112.52 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -56.05 -37.71 69.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.877 0.37 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -26.63 64.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.814 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.498 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 20.0 m-85 -81.58 -30.54 32.96 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.331 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.45 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 0.1 OUTLIER -85.47 -8.39 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.158 -179.538 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.12 25.14 10.9 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.412 ' CG2' ' HG2' ' A' ' 48' ' ' PRO . 21.4 t 46.21 34.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 111.565 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.03 99.84 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.04 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.6 tt -116.11 39.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.905 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.0 t -98.8 128.36 44.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.9 mtt -96.61 161.11 14.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.4 mtm -150.55 176.41 11.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.02 -32.65 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.94 146.99 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mt -139.05 140.92 38.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.5 163.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -107.23 6.51 28.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.347 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.461 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 1.7 p -104.6 137.7 42.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.662 0.267 . . . . 0.0 110.696 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.25 126.35 22.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.295 -179.751 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.56 -170.34 28.18 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.801 -1.19 . . . . 0.0 112.854 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -67.36 157.64 33.56 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -68.05 143.63 96.29 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -179.109 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.418 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 31.8 Cg_exo -59.4 157.26 31.89 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.227 1.952 . . . . 0.0 111.681 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.45 HG13 ' CD2' ' A' ' 68' ' ' HIS . 11.4 m -72.58 115.68 13.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-O 121.443 0.639 . . . . 0.0 111.85 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.74 163.18 13.49 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.462 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.417 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 11.4 p90 -160.2 159.22 31.32 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.527 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 2.9 tt0 -102.38 127.09 49.53 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.215 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.5 mt -91.8 -20.93 20.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.936 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -131.22 143.56 50.67 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.064 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.37 -11.23 59.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.362 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -81.14 3.96 21.71 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -177.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.527 ' HA2' ' OE1' ' A' ' 18' ' ' GLN . . . 103.29 26.04 7.13 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 119.803 -1.189 . . . . 0.0 114.701 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 18' ' ' GLN . 4.3 mm-40 -96.64 115.48 27.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.791 0.796 . . . . 0.0 110.059 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CE1' ' OE1' ' A' ' 18' ' ' GLN . 9.5 m-85 -117.48 136.71 53.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.337 0.589 . . . . 0.0 112.369 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.508 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 81.0 m-85 -125.39 166.43 16.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.845 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.96 148.17 52.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.433 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.406 HG13 HG22 ' A' ' 15' ' ' VAL . 5.3 mt -78.07 123.08 34.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.741 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.72 -28.37 46.23 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.123 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.0 t -61.4 -42.23 98.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.13 0.49 . . . . 0.0 109.855 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.438 ' HG3' ' CG2' ' A' ' 15' ' ' VAL . 2.7 mm-40 -71.76 -40.77 69.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.169 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 38.9 t -61.85 -40.57 87.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.205 179.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.37 -50.7 58.11 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.356 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.9 p30 -65.31 -33.08 75.14 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.503 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -62.92 -42.78 99.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.056 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -93.75 -3.37 52.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 68.73 30.71 4.79 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.804 0.335 . . . . 0.0 111.57 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.87 126.21 50.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.005 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -126.59 175.08 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.111 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? 60.17 43.09 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 58.42 20.32 44.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.443 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.8 t -59.4 -33.77 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.011 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.1 tp -64.8 -52.11 58.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -70.43 -34.71 72.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.132 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -73.06 -30.91 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -92.16 -14.25 29.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.288 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.456 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 91.6 m-85 -132.53 65.4 74.55 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-O 120.81 0.338 . . . . 0.0 111.043 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.22 -32.13 93.97 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.771 2.314 . . . . 0.0 112.916 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.18 -14.43 60.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.526 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 3.6 tp -67.02 134.31 51.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 111.24 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.56 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.1 t90 -69.9 120.72 16.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.48 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -139.22 138.73 37.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.441 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 12.2 mtm180 -150.42 165.9 31.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.086 0.47 . . . . 0.0 111.619 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.72 151.6 19.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.422 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.408 ' CB ' ' HB ' ' A' ' 88' ' ' VAL . . . -100.11 127.64 46.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.043 0.449 . . . . 0.0 111.816 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.8 p -71.89 171.57 11.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.005 179.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.554 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 38.8 t -56.06 -39.07 56.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.222 0.534 . . . . 0.0 110.382 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.83 -42.46 73.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.146 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -65.22 -40.82 94.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.18 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -66.75 -39.69 88.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.841 -179.61 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.452 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -63.81 -41.54 97.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.834 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.452 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 9.8 mtpt -68.63 -34.67 76.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.078 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.417 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 13.3 mt -59.75 -51.21 75.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.109 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.31 -45.94 97.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.547 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.39 -43.85 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.8 m -79.08 -51.27 9.79 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' A' ' 68' ' ' HIS . 5.9 t -65.0 -56.53 12.61 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.45 ' CD2' HG13 ' A' ' 15' ' ' VAL . 0.0 OUTLIER 173.42 149.91 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.85 0.357 . . . . 0.0 110.988 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.98 107.36 0.32 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.491 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? 61.33 109.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.971 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -127.92 -44.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 p -148.14 124.87 11.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -170.9 132.83 0.91 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.75 -30.31 56.09 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.476 2.117 . . . . 0.0 112.298 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -79.49 145.96 32.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.5 p -78.81 -178.45 6.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -72.4 153.44 41.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -151.86 -59.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -129.53 -47.03 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.07 -86.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -135.04 156.0 49.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 m -125.9 -43.23 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.83 164.3 15.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 60.03 90.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.446 ' HA ' ' HD2' ' A' ' 60' ' ' ARG . . . -178.14 -35.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.409 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -33.92 69.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.907 0.384 . . . . 0.0 110.55 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 p -159.12 106.39 1.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.846 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.408 ' HB ' ' CB ' ' A' ' 55' ' ' ALA . 39.9 t -112.16 125.85 69.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.736 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.5 p -90.79 115.46 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.782 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.7 mp -96.95 144.87 26.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.036 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 3.6 mp -134.77 149.31 50.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.327 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.56 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 9.8 mmtt -69.07 121.93 17.7 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 110.933 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.33 -32.9 40.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.699 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.83 -41.4 95.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.984 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 3.4 mm-40 -66.23 -49.26 67.83 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.071 0.462 . . . . 0.0 110.219 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.506 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 22.2 t -62.49 -40.03 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.562 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.36 -45.34 88.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.476 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 3.3 mm-40 -62.4 -48.5 79.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.048 0.452 . . . . 0.0 110.628 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.4 mt -61.63 -39.19 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.2 mt -66.21 -35.79 81.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.924 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -13.24 59.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.197 179.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.14 3.77 54.16 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.63 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.476 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 6.6 t30 -104.21 110.96 23.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.478 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 17.4 p-10 -163.98 14.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -53.89 -42.71 68.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.898 0.38 . . . . 0.0 110.983 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -63.15 -30.43 71.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.615 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.478 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.5 m-85 -79.79 -45.38 18.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.348 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -67.42 -13.32 61.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.183 -179.572 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.44 ' O ' ' HB ' ' A' ' 110' ' ' VAL . . . -93.79 24.49 4.13 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.44 ' HB ' ' O ' ' A' ' 109' ' ' ALA . 99.6 t 69.8 -55.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.907 0.384 . . . . 0.0 111.422 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.71 170.23 16.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 22.3 mt -70.68 -31.42 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.1 p -125.32 123.88 40.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -132.94 139.72 47.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.9 mmt -143.8 -178.62 6.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 tpp 62.69 118.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -172.42 127.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.6 mt -143.33 174.89 10.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.24 -166.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.79 106.99 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.499 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 6.2 p -133.38 165.15 25.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.439 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.438 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.22 126.28 22.76 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.778 -179.363 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.11 -171.08 29.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 119.963 -1.113 . . . . 0.0 113.28 177.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -70.11 156.94 38.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HG3' ' HD2' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -68.5 143.38 95.28 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.535 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 31.2 Cg_exo -59.71 156.91 35.01 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.281 1.988 . . . . 0.0 111.947 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.448 HG22 HG13 ' A' ' 28' ' ' ILE . 20.6 m -72.77 119.37 19.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-O 121.236 0.541 . . . . 0.0 111.969 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.428 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -113.03 154.24 26.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.735 179.087 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -153.96 169.33 23.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.821 0.343 . . . . 0.0 111.255 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.432 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.62 127.92 49.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.424 HD13 ' CD2' ' A' ' 26' ' ' TYR . 50.2 mt -104.88 -30.71 9.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -119.02 143.96 46.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.081 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.63 -11.93 55.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.779 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -1.23 43.9 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.86 26.06 7.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.27 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -83.96 116.8 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 0.0 110.627 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.432 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.5 m-85 -112.09 133.77 54.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.989 0.423 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 92' ' ' LYS . 76.0 m-85 -123.62 166.77 14.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.589 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.424 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.95 144.32 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.52 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.448 HG13 HG22 ' A' ' 15' ' ' VAL . 15.4 mt -75.25 119.96 23.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.025 0.441 . . . . 0.0 110.989 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.94 -28.43 48.17 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.917 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.96 -41.22 99.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.471 . . . . 0.0 110.009 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -70.99 -41.05 71.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 20.8 t -63.75 -40.88 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.407 179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.81 -50.87 60.08 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.261 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.8 p30 -64.61 -33.05 75.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.025 0.44 . . . . 0.0 109.982 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.5 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -60.59 -42.9 97.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.753 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -95.19 -2.55 49.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.75 29.71 5.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.312 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.8 mmm -101.57 126.3 48.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.044 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.46 174.96 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 59.14 33.82 22.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.788 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.91 20.43 74.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -33.8 69.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 tp -64.92 -52.07 58.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -68.77 -39.09 80.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.957 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -67.23 -31.08 71.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.77 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -91.96 -16.42 26.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.272 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.45 ' CE2' ' HG2' ' A' ' 108' ' ' LYS . 74.7 m-85 -131.63 67.94 80.39 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.995 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.19 -32.3 82.72 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.529 2.153 . . . . 0.0 112.806 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.429 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . 0.5 OUTLIER -72.35 -9.47 58.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.477 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.401 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 2.9 tp -75.67 136.45 40.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.828 0.347 . . . . 0.0 111.078 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.498 ' HB3' ' HG2' ' A' ' 92' ' ' LYS . 77.7 t90 -74.57 122.88 23.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.795 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ptt-85 -139.2 138.74 37.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 111.111 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 6.5 mtm-85 -150.55 166.08 31.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.155 0.502 . . . . 0.0 111.596 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.64 143.13 26.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.461 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.48 126.71 31.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.817 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.5 p -75.54 171.3 14.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.028 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.4 t -55.59 -39.75 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.153 0.502 . . . . 0.0 110.643 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.55 -50.61 43.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.375 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.406 ' O ' HG13 ' A' ' 63' ' ' ILE . 62.7 mt-10 -56.71 -39.95 74.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.925 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -60.58 -48.7 80.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.105 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -39.56 75.73 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -68.31 -34.87 76.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.526 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 67' ' ' SER . 20.5 mt -71.04 -26.23 27.07 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.309 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.6 t -62.63 -50.64 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.265 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.25 -42.86 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.313 0.577 . . . . 0.0 110.255 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.519 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 0.8 OUTLIER -75.01 -12.92 60.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.658 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.55 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 0.5 OUTLIER -53.9 -11.87 0.48 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.51 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.55 ' HB2' ' O ' ' A' ' 67' ' ' SER . 75.4 m80 72.3 176.87 0.26 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.828 0.347 . . . . 0.0 110.999 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.55 -26.12 17.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.401 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -32.88 51.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.951 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -59.62 145.87 43.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.068 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -75.95 129.72 37.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 120.17 21.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.84 -27.66 35.58 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.422 2.081 . . . . 0.0 112.263 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.62 152.94 21.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.8 p -98.12 149.57 22.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.93 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -128.03 130.2 47.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.8 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -86.63 -47.69 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.95 130.87 1.16 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -71.87 144.43 49.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.1 m -108.97 -40.57 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -164.17 143.22 7.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.742 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.469 ' CD1' ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -166.16 32.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.144 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.438 ' HA ' ' NE ' ' A' ' 60' ' ' ARG . . . -98.92 45.3 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 111.619 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -112.04 -39.58 4.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.298 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.85 106.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.924 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 90.6 t -117.06 119.72 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.465 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.3 p -92.39 133.97 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.41 ' CD2' ' CD1' ' A' ' 19' ' ' LEU . 1.1 mp -115.69 144.92 43.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -135.32 158.97 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.04 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.498 ' HG2' ' HB3' ' A' ' 51' ' ' TRP . 4.2 mmmm -76.56 122.42 24.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.736 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.19 41.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.0 m -64.96 -38.48 91.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.06 -49.34 61.94 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.682 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.414 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 16.9 t -63.21 -47.95 89.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.636 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -43.68 73.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.713 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.477 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -61.08 -48.52 81.32 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 111.078 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 5.8 mt -61.6 -39.4 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.065 0.46 . . . . 0.0 109.765 179.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 29.7 mt -67.72 -33.27 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.092 178.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.87 -14.0 59.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.045 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.49 3.58 53.18 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.621 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.477 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -104.51 110.9 23.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 177.709 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.493 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 8.4 p-10 -167.69 16.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -58.67 -38.5 78.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -71.01 -21.43 62.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.493 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.4 m-85 -84.77 -44.52 13.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.852 0.358 . . . . 0.0 111.56 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.45 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -64.84 -21.59 66.82 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.62 -178.753 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.01 27.72 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.429 ' HA ' ' CB ' ' A' ' 49' ' ' SER . 11.4 p 42.91 30.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.808 0.337 . . . . 0.0 111.508 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -66.9 135.53 53.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 tt -177.19 41.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.85 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.3 t 60.26 173.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -110.41 106.2 15.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 60.91 112.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -163.43 152.82 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.01 176.94 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -149.31 -47.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m -128.02 123.54 34.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -147.57 -42.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.476 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 1.6 p -108.63 155.88 20.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.777 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.22 126.29 22.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.622 -179.636 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.47 -170.76 28.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 119.804 -1.189 . . . . 0.0 113.171 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -67.68 157.21 35.11 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 tptt -68.44 144.16 96.17 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.8 155.32 44.11 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.412 2.075 . . . . 0.0 111.924 -179.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.438 HG22 HG13 ' A' ' 28' ' ' ILE . 13.3 m -72.84 117.35 16.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 CA-C-O 121.319 0.581 . . . . 0.0 111.622 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -112.5 149.92 31.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.098 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.445 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 15.8 p90 -149.31 168.56 23.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 111.223 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.454 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -102.92 127.96 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.368 179.584 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 mt -108.17 -20.52 13.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.538 -179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 4.4 mm-40 -128.01 143.86 51.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.025 0.44 . . . . 0.0 111.251 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -65.06 -11.99 45.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.92 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -1.15 42.61 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.87 24.65 10.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.361 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -83.75 116.73 22.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 0.0 110.502 179.675 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.454 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.4 m-85 -110.47 130.84 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.287 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CD1' ' CZ3' ' A' ' 51' ' ' TRP . 79.7 m-85 -121.75 166.63 14.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.512 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.452 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -130.86 149.77 52.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.502 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.438 HG13 HG22 ' A' ' 15' ' ' VAL . 17.7 mt -77.19 122.09 31.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.924 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.74 -36.88 60.27 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.911 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.4 p -57.19 -38.77 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.12 0.486 . . . . 0.0 110.08 179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' HG3' ' CG2' ' A' ' 15' ' ' VAL . 3.3 mm-40 -70.67 -41.72 71.71 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.094 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 31.5 t -62.6 -40.6 88.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.616 179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.33 -50.61 58.73 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.568 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 25.8 p30 -65.46 -32.99 74.9 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.249 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.0 t80 -63.12 -42.81 99.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.945 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -93.38 -3.13 53.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.124 179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.63 29.96 5.22 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.622 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.4 mtt -101.16 126.07 47.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -126.81 175.1 8.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 56.73 42.78 26.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.82 19.48 55.68 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -60.25 -33.88 72.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 tp -64.95 -52.08 58.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.733 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.16 -39.0 86.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.77 -40.31 91.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.693 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -83.62 -15.91 47.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.422 ' CE2' ' HG2' ' A' ' 108' ' ' LYS . 89.0 m-85 -134.31 65.56 68.64 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.427 ' HG2' ' CG2' ' A' ' 110' ' ' VAL . 30.6 Cg_exo -62.36 -32.32 81.31 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.647 2.231 . . . . 0.0 112.72 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.1 t -72.51 -10.07 59.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.686 0.279 . . . . 0.0 111.22 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.3 tp -69.55 128.52 36.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.552 ' CD2' ' HD2' ' A' ' 92' ' ' LYS . 73.3 t90 -69.91 118.91 13.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.646 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.36 143.54 37.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.764 0.316 . . . . 0.0 111.188 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.478 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -154.1 166.17 33.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.088 179.661 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.18 153.07 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -106.83 140.73 39.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.039 0.447 . . . . 0.0 111.776 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.3 p -77.66 171.53 14.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.148 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.423 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 36.0 t -60.25 -37.07 72.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.988 0.423 . . . . 0.0 110.686 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.39 -51.17 31.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' O ' HG13 ' A' ' 63' ' ' ILE . 15.2 mt-10 -61.01 -46.71 89.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 9.9 ptp180 -60.77 -41.61 95.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -57.93 -43.37 86.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -68.12 -34.58 76.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.17 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.445 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 56.9 mt -59.74 -44.64 94.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.826 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.5 t -63.89 -49.67 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.569 -179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.06 68.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.045 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.3 p -79.09 -51.15 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.859 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 t -75.52 -55.94 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.722 0.296 . . . . 0.0 111.37 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -91.51 159.19 16.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.953 0.406 . . . . 0.0 111.261 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 107.73 150.64 16.09 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.505 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm 63.92 11.7 6.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.627 0.251 . . . . 0.0 111.629 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -83.58 152.34 24.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.797 0.332 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.0 p -104.17 107.27 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -168.64 96.9 0.55 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -50.98 -24.38 13.9 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.538 2.159 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -68.03 -63.08 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 p -74.83 -33.97 62.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.054 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm 62.58 176.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -150.51 110.0 4.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -149.52 -48.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.72 118.67 0.84 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -97.59 141.07 31.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -146.75 31.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.84 -175.8 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 60.71 28.6 18.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.015 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.01 30.58 5.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.263 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.7 m -112.01 -39.23 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.441 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.3 107.49 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.593 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.2 t -112.14 119.7 60.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.18 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 66.2 p -90.91 119.17 30.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.42 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 1.9 mp -96.75 144.88 26.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.978 0.418 . . . . 0.0 111.385 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.21 151.53 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.498 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.552 ' HD2' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -69.77 121.6 17.56 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.347 0.594 . . . . 0.0 111.323 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.66 -42.38 56.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.694 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -56.85 -40.25 75.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.048 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.431 ' HG2' ' CE1' ' A' ' 107' ' ' TYR . 15.0 mt-10 -68.22 -49.32 61.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.984 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.462 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 10.9 t -60.95 -50.21 81.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.84 -42.14 71.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.63 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.473 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.1 OUTLIER -60.91 -48.8 80.17 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.064 0.459 . . . . 0.0 111.038 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 mt -62.4 -39.23 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.082 0.468 . . . . 0.0 109.8 179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 20.1 mt -66.75 -34.63 78.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.122 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.74 -14.35 59.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.062 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.56 3.61 52.95 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.533 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.473 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.7 OUTLIER -104.22 110.78 23.12 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.788 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.466 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 12.2 p-10 -164.36 13.82 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -39.11 65.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -30.06 70.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.644 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.445 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.3 m-85 -80.28 -43.84 20.62 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.322 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -68.44 -11.16 59.31 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.342 -179.329 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -94.44 16.41 15.31 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.427 ' CG2' ' HG2' ' A' ' 48' ' ' PRO . 39.9 t 60.54 13.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.42 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 110' ' ' VAL . 0.5 OUTLIER 164.96 163.04 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.533 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mt -80.18 -29.58 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.134 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.932 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.7 t -114.05 156.42 24.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 ttt -82.17 134.17 35.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.19 146.27 50.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -136.51 164.42 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.81 92.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mt -132.05 -176.28 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.0 p -159.01 -78.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -124.75 -39.06 2.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.124 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.476 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.2 p -100.32 135.67 41.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -138.61 126.54 22.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.246 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.51 -170.38 28.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 119.763 -1.208 . . . . 0.0 113.01 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -67.54 157.2 34.91 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -68.61 143.28 94.98 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.726 0.298 . . . . 0.0 110.415 -179.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.43 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 31.1 Cg_exo -60.36 162.3 17.8 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.429 2.086 . . . . 0.0 111.906 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.588 ' HB ' ' CE1' ' A' ' 68' ' ' HIS . 16.2 m -72.9 117.23 16.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 121.331 0.586 . . . . 0.0 112.055 -178.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.25 153.24 28.71 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.457 179.129 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.443 ' HB3' ' CB ' ' A' ' 67' ' ' SER . 22.2 p90 -155.14 169.09 24.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 111.736 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -104.6 127.98 52.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.41 179.566 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -108.79 -25.1 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.434 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.19 143.81 47.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 111.181 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.89 -12.11 58.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.659 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.22 -3.28 51.85 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.0 24.11 8.22 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.397 -0.906 . . . . 0.0 113.135 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -80.94 116.78 21.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.4 m-85 -111.36 128.86 56.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 89.7 m-85 -121.39 166.84 13.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.583 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.465 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 4.9 mtm -135.84 149.27 48.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.482 HG13 HG22 ' A' ' 15' ' ' VAL . 12.0 mt -79.25 118.15 26.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 121.119 0.485 . . . . 0.0 111.049 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.87 -24.75 34.97 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.748 -0.66 . . . . 0.0 113.044 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.0 t -64.15 -43.32 95.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.172 0.51 . . . . 0.0 109.701 179.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -70.49 -39.62 74.08 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.948 179.191 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 39.6 t -63.87 -40.68 89.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.261 179.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.96 -50.7 61.35 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.234 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.2 p30 -64.48 -33.0 74.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.072 0.463 . . . . 0.0 110.032 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.2 t80 -60.89 -42.78 98.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.85 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -94.66 -2.75 50.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.988 179.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.58 30.11 5.25 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.742 0.306 . . . . 0.0 111.407 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.0 126.32 47.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.068 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -126.53 175.02 8.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.123 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 59.41 37.49 23.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.747 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.56 20.59 63.87 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -57.96 -33.97 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 tp -64.91 -51.08 63.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -69.31 -39.0 78.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.032 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -28.92 65.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -90.34 -24.67 20.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.555 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.8 m-85 -119.43 71.7 13.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.111 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.45 -28.66 78.2 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.866 2.377 . . . . 0.0 112.97 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . 0.4 OUTLIER -85.42 6.42 26.76 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.677 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.555 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 6.2 tp -87.28 130.86 34.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 111.277 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 68.4 t90 -69.9 119.55 14.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -139.5 138.79 36.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.111 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.623 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -152.28 160.66 43.31 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 111.487 179.334 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -94.02 131.77 39.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -80.91 146.74 30.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.011 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.408 ' N ' ' HB2' ' A' ' 59' ' ' GLU . 6.8 p -83.01 171.5 13.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.522 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.556 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 24.9 t -54.02 -48.48 64.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.19 0.519 . . . . 0.0 110.249 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.83 -40.42 95.25 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.408 ' HB2' ' N ' ' A' ' 56' ' ' THR . 34.3 mt-10 -60.92 -46.08 92.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.078 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -60.99 -38.5 86.25 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.541 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.535 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 26.8 mttt -58.82 -49.5 77.49 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 66' ' ' SER . 3.4 mtpm? -68.15 -34.79 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.5 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.447 ' O ' ' CB ' ' A' ' 67' ' ' SER . 29.5 mt -61.16 -49.81 83.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.321 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.8 t -70.86 -49.88 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.7 -45.23 59.86 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.528 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 1.9 t -79.0 -51.23 9.88 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -177.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.447 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 7.6 t -54.88 -56.66 17.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.588 ' CE1' ' HB ' ' A' ' 15' ' ' VAL . 38.2 m80 -144.42 -175.05 4.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.888 0.375 . . . . 0.0 111.297 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 141.87 -31.93 2.06 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.392 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.05 115.31 30.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -118.1 7.12 12.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.09 177.99 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.76 0.314 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt 61.97 151.6 0.1 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.27 -179.82 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.561 2.174 . . . . 0.0 112.33 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -152.27 161.83 42.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.6 -37.32 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.046 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -90.34 147.77 23.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.3 30.39 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -106.06 134.96 48.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.45 -64.66 1.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -176.28 134.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 110.869 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 11.4 m -151.4 32.75 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.1 m -71.89 -21.84 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -136.63 -111.95 0.19 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.766 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.413 ' CA ' ' HD2' ' A' ' 60' ' ' ARG . . . 76.08 -54.07 0.61 Allowed 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -27.72 63.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.914 0.388 . . . . 0.0 110.605 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.02 105.23 1.75 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.479 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 18.5 t -111.64 119.76 60.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.193 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 p -92.4 116.2 28.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.2 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 52' ' ' ARG . 0.3 OUTLIER -96.77 144.75 26.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.29 -179.379 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 mp -135.75 157.0 47.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.399 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.501 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 8.8 mmtt -76.6 121.7 23.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.935 0.398 . . . . 0.0 110.672 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.34 -44.19 54.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.504 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.0 p -59.02 -37.88 77.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.428 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -68.05 -49.25 62.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.526 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.471 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 22.0 t -63.11 -39.26 84.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.489 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.14 -46.04 89.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.675 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.446 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 13.9 mm-40 -61.72 -48.01 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.082 0.467 . . . . 0.0 110.719 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.6 mt -61.23 -39.24 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.8 mt -65.24 -35.94 82.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.856 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.88 -13.06 60.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.281 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.32 3.78 53.61 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.7 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.446 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 9.0 t30 -104.33 111.12 23.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.456 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.1 p-10 -167.7 17.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.46 -34.04 68.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.362 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -25.3 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.456 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 26.4 m-85 -82.06 -31.92 30.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.469 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -80.81 -19.8 43.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.436 -178.892 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.12 30.17 7.51 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.41 ' HA ' ' CB ' ' A' ' 49' ' ' SER . 7.0 p 42.42 61.62 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.99 0.424 . . . . 0.0 111.495 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 t 71.55 153.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.1 mt -88.56 -34.61 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.221 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.3 p -148.99 157.62 43.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.94 31.0 3.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.75 174.5 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.08 -44.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.62 144.36 41.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.33 -44.95 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.9 p -69.71 167.17 17.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -110.9 -26.28 9.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.48 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 1.9 p -109.98 135.77 50.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.858 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.52 126.56 22.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.231 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.66 -170.24 27.95 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.636 -1.269 . . . . 0.0 112.898 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.33 157.02 35.0 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 14' ' ' PRO . 1.3 tppp? -68.67 145.14 96.81 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 110.271 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.402 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 31.8 Cg_exo -59.74 158.03 30.24 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.386 2.057 . . . . 0.0 112.097 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG22 HG13 ' A' ' 28' ' ' ILE . 15.2 m -72.95 116.98 15.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.279 0.562 . . . . 0.0 111.635 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -111.33 149.68 30.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.855 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.422 ' CE1' HG12 ' A' ' 63' ' ' ILE . 22.8 p90 -148.05 167.62 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 111.434 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.89 127.93 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 179.646 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 mt -108.74 -27.11 9.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.266 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -118.76 143.82 46.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.978 0.418 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.73 -12.24 57.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.691 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.29 -1.93 47.03 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.89 25.21 8.13 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.447 -0.882 . . . . 0.0 113.078 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -80.47 116.79 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 110.619 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.407 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 7.5 m-85 -111.54 133.91 53.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.508 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 82.6 m-85 -126.18 166.56 16.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.569 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.459 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -132.2 146.28 51.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.504 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.435 HG13 HG22 ' A' ' 15' ' ' VAL . 14.5 mt -76.12 122.72 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.885 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.66 -29.4 48.87 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.081 -178.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.3 p -61.6 -41.43 97.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.045 0.45 . . . . 0.0 109.975 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.07 -42.37 69.49 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.235 179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.8 t -62.1 -40.81 88.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.496 179.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.68 -50.73 59.48 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.3 p30 -65.43 -32.95 74.84 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.201 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.492 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -61.56 -42.89 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.781 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -93.43 -3.83 52.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.93 179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.7 30.8 4.81 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.39 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.7 mmm -101.7 126.04 48.48 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -126.61 174.96 8.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 56.9 43.33 25.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.57 19.18 53.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.462 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.9 t -60.11 -33.7 72.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.771 0.319 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -64.89 -51.63 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.415 ' CE2' ' HD2' ' A' ' 52' ' ' ARG . 27.8 m-85 -69.21 -36.65 77.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -34.1 77.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.311 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -92.05 -14.28 29.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.138 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.46 ' N ' ' HD3' ' A' ' 48' ' ' PRO . 92.3 m-85 -134.99 59.91 37.25 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.46 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 28.0 Cg_exo -62.44 -30.15 79.85 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.387 2.058 . . . . 0.0 112.423 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.401 ' HB2' ' CB ' ' A' ' 111' ' ' SER . 7.9 t -72.14 -15.65 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.244 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 4.0 tp -67.36 135.84 53.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 111.137 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.599 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 70.5 t90 -71.27 119.53 15.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.415 ' HD2' ' CE2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -139.67 138.69 36.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.735 179.492 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.599 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.16 160.13 41.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 111.415 179.544 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -95.15 130.94 41.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.112 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.52 145.63 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.568 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.9 p -72.15 171.63 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.241 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.446 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 23.7 t -59.63 -37.29 69.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.998 0.428 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -70.21 -50.87 35.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.35 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -60.17 -46.74 88.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.013 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 9.4 ptp180 -60.71 -41.89 96.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.466 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -42.06 84.8 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -34.74 76.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.13 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.422 HG12 ' CE1' ' A' ' 17' ' ' PHE . 68.6 mt -59.5 -42.5 88.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.6 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.9 t -59.77 -49.65 83.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.305 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.6 -44.95 61.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.099 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m -73.73 -51.35 16.83 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.8 t -70.37 -46.06 64.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 111.533 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -108.53 135.49 49.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.039 0.447 . . . . 0.0 111.424 -179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.95 -43.77 0.26 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.659 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HD3' ' N ' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -164.72 119.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 0.0 111.017 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -149.06 -46.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.91 176.44 4.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -65.68 147.91 98.45 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.17 59.33 5.92 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.508 2.139 . . . . 0.0 112.323 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -108.32 -41.07 4.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.0 p -99.2 161.17 13.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -121.0 120.61 35.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.1 159.24 17.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -119.98 -46.13 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.85 176.88 16.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.378 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -114.38 168.21 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.91 144.25 31.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.734 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -99.0 121.73 41.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.008 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -163.72 39.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 179.731 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.41 36.71 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.213 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 m -112.06 -39.09 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.575 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.7 p -159.23 109.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 47.3 t -118.3 119.85 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.906 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 3.1 t -95.04 115.31 27.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.545 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.93 147.9 23.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.003 0.43 . . . . 0.0 111.424 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 6.4 mp -132.86 157.5 44.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.286 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.516 ' HG2' ' HB3' ' A' ' 51' ' ' TRP . 14.1 mmtm -71.29 122.09 19.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.91 -38.34 61.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.973 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.9 t -65.05 -35.33 80.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.891 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.439 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -67.46 -49.82 61.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.979 0.419 . . . . 0.0 110.498 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.508 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 11.1 t -64.32 -38.54 82.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.566 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.97 90.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.738 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.46 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 2.4 mm-40 -62.47 -48.38 79.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 0.0 110.632 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.5 mt -61.54 -39.34 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.7 mt -66.46 -35.56 80.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.952 178.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -77.81 -13.29 59.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.27 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.18 3.7 54.08 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.623 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.46 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 42.7 t30 -104.36 111.05 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.469 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 14.3 p-10 -164.87 15.19 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -54.02 -40.44 67.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.949 0.404 . . . . 0.0 111.068 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -65.91 -30.25 70.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.663 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.464 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 21.2 m-85 -79.31 -39.03 33.85 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -75.88 -5.99 48.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.107 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.87 4.79 47.55 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.421 ' CG2' ' HG2' ' A' ' 48' ' ' PRO . 45.4 t 68.86 2.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.401 ' CB ' ' HB2' ' A' ' 49' ' ' SER . 31.2 t 40.51 77.3 0.06 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 111.657 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.0 mt -109.32 -30.52 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.125 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.866 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.4 p -147.64 100.37 3.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 56.0 mtt -108.56 119.82 40.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.11 109.87 21.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -88.34 121.37 30.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.45 128.04 30.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.48 150.1 49.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.21 172.63 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.79 -28.11 7.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.475 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.0 p -122.89 135.66 54.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.49 126.6 22.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.176 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.52 -170.41 28.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.687 -1.244 . . . . 0.0 112.877 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 -67.41 157.29 34.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HG3' ' HD2' ' A' ' 14' ' ' PRO . 3.4 tppp? -68.39 144.47 96.55 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -179.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 32.1 Cg_exo -59.73 159.32 24.95 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.47 2.114 . . . . 0.0 112.141 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.478 HG22 HG13 ' A' ' 28' ' ' ILE . 18.4 m -72.89 117.99 17.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.153 0.502 . . . . 0.0 111.611 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.478 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.92 150.81 33.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.098 179.522 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.416 ' CZ ' HD22 ' A' ' 90' ' ' LEU . 15.4 p90 -150.11 169.25 21.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 0.0 111.167 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.423 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.83 127.95 49.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.724 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 mt -106.05 -30.93 8.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.06 143.85 45.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 111.054 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -66.68 -12.16 57.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.709 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.17 -0.01 38.46 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.11 24.93 8.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.398 -0.906 . . . . 0.0 113.107 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -81.92 116.87 21.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.726 0.298 . . . . 0.0 110.547 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.423 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.8 m-85 -112.53 130.96 55.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.966 0.412 . . . . 0.0 111.22 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 89.5 m-85 -123.67 166.52 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.724 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.478 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.52 148.88 52.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.606 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.478 HG13 HG22 ' A' ' 15' ' ' VAL . 19.8 mt -76.98 121.69 29.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.778 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.67 -29.41 48.96 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.196 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 45.1 t -62.1 -41.28 98.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.075 0.464 . . . . 0.0 110.034 179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -71.1 -41.86 70.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.173 179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 14.6 t -62.68 -40.87 90.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.438 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.05 -50.74 60.85 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.299 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 23.5 p30 -65.15 -33.07 75.13 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.118 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.49 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.6 t80 -60.62 -43.01 97.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.889 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -94.1 -3.78 50.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.955 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 68.56 31.18 4.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.1 mtt -102.14 126.16 49.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.12 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -126.53 174.73 8.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.177 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 55.99 37.74 29.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.6 22.06 76.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -34.05 75.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.329 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 tp -64.95 -52.2 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -68.02 -38.62 82.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.786 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -66.32 -30.62 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.982 0.42 . . . . 0.0 110.225 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -91.93 -13.65 30.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.032 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.586 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 60.4 m-85 -134.14 63.82 63.22 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.405 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 36.0 Cg_exo -60.45 -32.1 93.36 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.777 2.318 . . . . 0.0 113.495 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.17 8.23 18.98 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.586 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 5.2 tp -84.27 139.93 32.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.234 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.581 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.1 t90 -70.33 116.11 10.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -139.57 138.61 36.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.515 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.559 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.11 152.13 30.08 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.504 179.664 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.83 153.08 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.688 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -93.54 127.02 39.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.613 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.9 p -72.01 171.45 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.042 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.454 ' HA ' ' HG2' ' A' ' 60' ' ' ARG . 34.6 t -58.4 -38.12 67.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.964 0.412 . . . . 0.0 110.545 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.17 -45.41 66.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.137 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -61.91 -46.48 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.844 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.454 ' HG2' ' HA ' ' A' ' 57' ' ' VAL . 3.2 ptt180 -60.78 -42.42 97.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.294 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 1.6 mtpm? -57.77 -41.43 81.97 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -68.23 -34.87 77.02 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.639 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' A' ' 67' ' ' SER . 14.0 mt -71.01 -26.31 27.29 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.118 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.211 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.7 t -61.96 -50.57 79.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.986 0.422 . . . . 0.0 109.948 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.26 -42.28 62.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.225 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.464 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 1.6 t -74.65 -13.13 60.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.696 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.582 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 0.4 OUTLIER -53.85 -11.92 0.48 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -178.611 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.582 ' HB2' ' O ' ' A' ' 67' ' ' SER . 72.9 m80 74.77 143.21 0.07 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.905 0.383 . . . . 0.0 111.094 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 173.79 39.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.97 -35.66 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 134.39 38.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.5 m 61.07 94.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -62.18 111.97 5.54 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.12 161.19 45.49 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.37 2.046 . . . . 0.0 112.278 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.74 93.16 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.7 p -136.56 157.15 47.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -92.74 -33.15 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.67 155.8 44.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -104.6 124.4 49.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -147.53 122.64 1.59 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.379 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -133.45 134.88 44.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.961 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.0 m -163.99 -43.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.047 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -35.33 80.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.44 HD11 ' N ' ' A' ' 85' ' ' ALA . 0.0 OUTLIER -71.37 -6.9 43.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.674 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.44 ' N ' HD11 ' A' ' 84' ' ' LEU . . . -107.36 29.81 6.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.826 0.346 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -112.02 -37.76 4.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 86.1 p -159.04 110.51 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 28.0 t -122.44 128.83 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.4 p -90.86 131.85 36.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.907 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.416 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 0.5 OUTLIER -113.31 145.0 41.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.396 -179.703 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 mp -134.86 152.73 51.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.586 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.581 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 3.8 mmmp? -76.21 122.4 24.3 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.938 0.399 . . . . 0.0 111.019 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.4 -34.28 23.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.361 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 m -62.53 -42.74 99.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.689 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.418 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 2.4 mm-40 -66.7 -49.34 66.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 16.8 t -61.81 -49.56 83.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.076 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.44 -44.06 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.786 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.483 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -61.24 -48.44 81.47 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.052 0.453 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.9 mt -61.8 -39.4 83.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 21.7 mt -67.24 -33.54 75.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.872 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -77.78 -13.84 59.77 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.143 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.57 3.91 52.78 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.626 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.483 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -104.04 111.21 23.68 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.55 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 3.4 p30 -168.28 20.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.543 ' HA ' ' HE2' ' A' ' 108' ' ' LYS . 2.6 mt-10 -51.67 -47.81 63.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.355 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -9.96 59.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.658 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.55 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.3 m-85 -85.84 -46.41 10.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.554 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.25 -6.52 59.28 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.151 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -103.08 18.54 21.47 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.522 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.0 p 43.48 38.71 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.891 0.377 . . . . 0.0 111.655 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.52 148.77 23.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.992 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 7.4 tp -172.65 -41.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.902 179.977 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.02 -178.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.76 165.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.6 ptp -110.14 133.59 53.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.4 mtt -113.33 -35.41 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.68 129.99 37.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.5 mp 60.06 160.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 p -139.89 150.05 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -103.2 -34.68 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.55 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 1.5 p -153.04 172.67 16.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -138.14 126.34 22.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.732 179.709 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.15 -171.6 29.89 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 119.983 -1.104 . . . . 0.0 114.377 177.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.86 158.38 20.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.7 -0.75 . . . . 0.0 110.212 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -67.67 134.52 92.5 Favored Pre-proline 0 C--N 1.332 -0.193 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.511 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 39.1 Cg_exo -60.94 156.17 45.58 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.493 2.129 . . . . 0.0 112.082 -179.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.47 ' CG1' ' CD2' ' A' ' 68' ' ' HIS . 18.6 m -72.86 117.25 16.18 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.187 0.518 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.36 158.82 17.53 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.065 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.425 ' CZ ' HD22 ' A' ' 90' ' ' LEU . 17.8 p90 -159.58 168.28 26.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.923 0.392 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.468 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.88 127.98 49.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.227 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.1 mt -109.03 -21.34 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.387 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.449 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -126.4 143.87 51.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.008 0.432 . . . . 0.0 111.115 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.29 -12.02 26.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.007 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.12 2.17 28.59 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.12 11.72 53.86 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 120.424 -0.893 . . . . 0.0 113.228 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.449 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.1 tt0 -70.11 116.56 10.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.449 . . . . 0.0 110.66 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.468 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -109.77 130.71 55.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.312 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.513 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 82.4 m-85 -121.47 166.46 14.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.688 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 1.4 mtm -133.07 153.43 51.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.238 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 12.3 mt -80.4 122.36 35.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.315 0.578 . . . . 0.0 111.258 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.68 -35.25 57.19 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.596 -0.729 . . . . 0.0 113.019 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -58.44 -39.85 80.95 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.234 0.54 . . . . 0.0 109.812 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.43 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 4.0 mm-40 -66.99 -42.73 84.54 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.66 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 29.9 t -62.43 -40.69 89.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.267 178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.78 -50.7 64.68 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.029 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 16.7 p30 -62.73 -32.62 73.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 109.753 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.55 ' CE1' ' HB ' ' A' ' 9' ' ' THR . 5.0 t80 -59.64 -42.58 93.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.301 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mp -102.18 2.62 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.265 179.483 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 68.43 28.45 6.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.396 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.6 mtt -100.99 126.01 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.185 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -126.85 175.01 8.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 56.31 36.56 27.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.005 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.68 20.91 79.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.574 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -60.08 -33.86 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.5 tp -64.92 -51.83 59.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -65.66 -35.59 81.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.01 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.83 -33.81 74.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -92.05 -11.65 35.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.301 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.552 ' CE2' ' CG ' ' A' ' 108' ' ' LYS . 64.3 m-85 -134.07 65.22 68.83 Favored Pre-proline 0 CA--C 1.531 0.226 0 CA-C-O 120.769 0.319 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -62.35 -27.26 77.53 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.78 2.32 . . . . 0.0 112.898 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.9 t -86.88 7.99 24.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.644 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.55 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.2 tp -87.38 137.3 32.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.062 0.458 . . . . 0.0 111.438 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CH2' ' CE2' ' A' ' 26' ' ' TYR . 73.0 t90 -69.83 115.89 9.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.543 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 138.59 36.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.847 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.451 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 16.1 ptt180 -154.11 156.81 37.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 111.368 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.14 130.84 36.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.277 179.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -79.94 143.14 34.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.492 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.479 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 4.8 p -71.86 167.69 19.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.319 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.0 t -53.46 -48.13 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.973 0.416 . . . . 0.0 110.444 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.52 -39.43 93.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.031 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.85 -42.46 99.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.827 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 56' ' ' THR . 7.9 mtm-85 -62.41 -41.92 99.04 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.794 0.331 . . . . 0.0 110.158 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -45.72 86.02 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -67.98 -34.89 77.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.904 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 67' ' ' SER . 24.2 mt -59.96 -46.26 94.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.674 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.41 -49.71 81.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.5 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.58 -45.04 61.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.061 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.59 -51.17 20.89 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 3.9 t -63.8 -56.09 18.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.646 0.26 . . . . 0.0 111.398 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.47 ' CD2' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -170.04 -91.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.18 -179.542 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.67 -75.77 1.95 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.575 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.99 118.38 23.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.01 142.88 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 10.2 t -107.33 65.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -157.26 130.2 4.43 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.81 100.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.382 2.054 . . . . 0.0 112.228 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -150.15 144.14 25.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.1 p 55.69 179.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -110.72 -33.31 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -86.58 132.83 33.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.9 -35.1 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.85 139.52 45.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -81.17 136.78 35.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 t -160.45 31.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 9.8 m -118.94 -3.07 10.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.345 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.424 ' CD1' ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -152.74 33.39 0.49 Allowed 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 111.105 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.16 -16.83 7.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.419 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.4 m -102.15 -32.0 10.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.92 0.391 . . . . 0.0 110.723 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -159.11 108.76 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.685 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 36.9 t -117.62 128.5 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.276 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.93 119.54 31.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.591 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.425 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -98.81 144.41 28.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.304 -179.556 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.2 mp -140.86 156.91 46.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.708 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.482 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 6.2 mmtt -75.06 121.51 22.12 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.015 0.436 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.55 -52.85 27.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.716 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.52 -33.77 64.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.373 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -68.1 -49.29 62.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.785 0.326 . . . . 0.0 111.007 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.452 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 21.2 t -61.18 -49.92 82.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.024 0.44 . . . . 0.0 110.314 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -54.83 -39.2 68.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.954 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.562 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 8.1 mm-40 -64.09 -48.82 74.68 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.163 0.506 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.4 mt -62.96 -39.43 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.879 179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.481 ' CD2' ' CE1' ' A' ' 35' ' ' TYR . 32.2 mt -67.47 -32.7 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.799 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -77.92 -14.57 59.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.21 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.67 4.05 52.39 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.627 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 10.2 t30 -103.95 111.56 24.15 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.539 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 3.6 p30 -169.22 19.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.281 -0.567 . . . . 0.0 112.374 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.54 ' HA ' ' HE2' ' A' ' 108' ' ' LYS . 43.3 mt-10 -51.72 -45.19 63.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -74.83 -19.28 60.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.625 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.539 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 20.8 m-85 -76.17 -46.14 29.99 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.552 ' CG ' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -85.65 -9.52 57.12 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.254 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -94.4 19.82 9.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.452 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.4 p 43.11 37.02 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-O 120.908 0.385 . . . . 0.0 111.57 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.26 80.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -123.32 -41.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.0 m . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.901 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.11 -39.48 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 110.732 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.35 29.69 5.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.2 mtm 58.09 89.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.5 mtt -107.4 -31.83 8.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.11 133.96 30.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -143.93 -46.88 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.33 140.93 13.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -109.6 -30.63 7.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.476 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 1.8 p -103.01 138.9 39.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.654 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.412 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -137.94 127.81 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.668 -179.51 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.0 -178.1 29.31 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.459 -0.877 . . . . 0.0 114.645 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -69.52 158.76 34.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 114.606 -0.797 . . . . 0.0 111.957 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HD3' ' CD1' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -67.84 142.9 96.03 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.935 -179.627 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.449 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 25.9 Cg_exo -63.91 159.74 40.66 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.646 2.23 . . . . 0.0 112.285 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.412 ' CG2' ' HG3' ' A' ' 31' ' ' GLU . 17.2 m -72.66 116.16 14.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.356 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.98 159.79 16.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.49 -179.62 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.456 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 22.4 p90 -159.83 167.07 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.998 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.425 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.93 127.97 49.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.477 179.664 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.446 ' CD1' ' CD2' ' A' ' 90' ' ' LEU . 4.5 mt -108.71 -25.42 10.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.56 143.8 48.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.952 0.406 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.55 -12.17 56.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.652 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.36 0.02 39.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.95 26.02 9.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.501 -0.856 . . . . 0.0 113.09 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -82.48 116.68 22.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.774 0.321 . . . . 0.0 110.649 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 7.3 m-85 -110.83 130.96 55.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 89.7 m-85 -123.1 166.51 15.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.716 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.413 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -132.5 149.47 52.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.33 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.41 HG13 ' CG2' ' A' ' 15' ' ' VAL . 13.3 mt -77.91 123.87 35.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.35 0.595 . . . . 0.0 111.368 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.79 -35.99 59.0 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.981 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.3 p -57.91 -39.06 77.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.105 0.478 . . . . 0.0 109.91 179.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' HA ' ' ND2' ' A' ' 34' ' ' ASN . 4.0 mm-40 -68.27 -45.03 74.24 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.896 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 35.9 t -60.1 -40.57 83.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.029 178.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.59 -50.17 69.78 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.804 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.473 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 17.4 p30 -61.68 -32.94 73.15 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.173 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' CE1' ' HB ' ' A' ' 9' ' ' THR . 0.3 OUTLIER -59.59 -43.94 93.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.633 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 mp -98.58 1.26 46.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.618 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.58 26.0 8.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.244 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.9 126.19 47.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.399 179.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -126.87 174.32 8.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.7 44.67 25.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.048 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.49 19.73 69.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.571 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -66.07 -34.01 77.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.83 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.8 tp -64.97 -52.04 58.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.651 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.412 ' CE1' ' HG2' ' A' ' 52' ' ' ARG . 14.7 m-85 -63.43 -34.24 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -65.79 -39.05 90.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.525 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -83.34 -17.01 43.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.467 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 83.2 m-85 -134.05 64.24 65.33 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.444 ' HG2' ' CG2' ' A' ' 110' ' ' VAL . 36.3 Cg_exo -62.25 -29.18 79.88 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.739 2.292 . . . . 0.0 113.097 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -10.49 59.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.757 0.313 . . . . 0.0 111.218 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.7 tp -70.0 135.36 49.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.361 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.517 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 80.7 t90 -69.77 117.82 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.897 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.412 ' HG2' ' CE1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -132.99 138.21 46.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.677 0.275 . . . . 0.0 110.554 179.374 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.47 143.61 21.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 111.392 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.63 134.37 34.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.462 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.77 148.02 23.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.432 . . . . 0.0 111.635 -179.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.611 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.7 p -71.95 164.09 26.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.257 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' A' ' 60' ' ' ARG . 21.6 t -53.29 -34.64 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.148 0.499 . . . . 0.0 110.632 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.18 -51.2 33.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.35 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.65 -41.5 86.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.541 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.611 ' HG3' ' O ' ' A' ' 56' ' ' THR . 7.9 mtt180 -61.62 -42.42 98.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.174 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -57.85 -43.46 85.92 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -68.05 -34.66 76.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.176 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.456 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 44.5 mt -59.57 -47.51 90.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.27 -48.82 86.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.622 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.26 -45.04 61.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.5 m -74.23 -51.22 16.04 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.413 ' HB2' ' CD2' ' A' ' 17' ' ' PHE . 5.7 t -70.98 -49.49 44.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 0.0 111.584 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -105.13 151.78 23.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.046 0.451 . . . . 0.0 111.604 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.61 -43.0 1.35 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.433 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.73 -34.9 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.845 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.73 155.96 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.992 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.6 m 60.11 109.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -149.12 76.07 9.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.22 91.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.495 2.13 . . . . 0.0 112.27 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.42 -77.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.9 p -136.69 175.11 9.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.41 -179.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -122.25 -42.79 2.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.1 m170 60.52 164.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.22 63.8 2.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.55 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.412 ' CD2' ' N ' ' A' ' 82' ' ' THR . 31.7 p90 -152.66 -45.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.412 ' N ' ' CD2' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -71.5 -35.71 70.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.855 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.03 -13.03 11.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.385 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -85.01 8.36 18.06 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.647 -179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -111.5 -23.58 10.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.705 0.288 . . . . 0.0 111.18 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 5.8 t -71.96 -33.22 68.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.872 0.368 . . . . 0.0 110.808 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.1 p -154.07 120.34 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.0 t -129.99 119.75 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 p -92.1 131.36 37.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.58 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.446 ' CD2' ' CD1' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -104.53 144.2 32.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.969 0.414 . . . . 0.0 111.494 -179.63 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 51' ' ' TRP . 4.5 mm? -135.95 152.67 51.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.133 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.517 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 8.9 mmmm -76.15 121.8 23.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.662 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -48.87 -48.33 42.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.855 -179.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.459 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 1.5 p -56.5 -37.45 70.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.297 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.448 ' HG2' ' CE1' ' A' ' 107' ' ' TYR . 5.1 mt-10 -68.05 -49.43 61.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 111.034 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.452 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 21.8 t -61.15 -47.12 94.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.441 . . . . 0.0 110.47 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.94 -43.48 73.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.958 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.627 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 37.2 mm-40 -61.54 -48.52 80.62 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.048 0.451 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 2.6 mt -61.9 -39.69 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.459 HD21 ' CZ ' ' A' ' 35' ' ' TYR . 19.6 mt -66.86 -33.38 75.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.007 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.57 -14.86 59.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.037 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.35 3.58 53.61 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.631 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 5.5 t30 -104.44 111.53 24.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.478 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 6.5 p-10 -165.81 15.55 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.093 -0.643 . . . . 0.0 112.724 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.61 -36.51 64.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.742 0.306 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -29.61 65.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.478 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 22.8 m-85 -78.32 -29.58 47.75 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -87.99 -5.72 58.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.058 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -101.68 2.63 38.9 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.444 ' CG2' ' HG2' ' A' ' 48' ' ' PRO . 41.4 t 58.85 48.08 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.976 0.417 . . . . 0.0 111.107 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.14 95.2 3.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 15.2 mt -102.69 48.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.096 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 t -86.33 125.63 33.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -113.78 100.42 8.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 8.2 ttm -70.18 173.2 6.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -176.02 125.69 0.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.62 97.07 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.087 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.54 32.23 3.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.41 -165.61 1.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -95.23 6.78 48.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.401 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.463 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.9 p -120.73 136.53 54.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.75 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.12 126.52 23.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.332 -179.791 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.57 -170.69 28.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 119.765 -1.207 . . . . 0.0 112.929 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -67.59 157.25 34.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.53 142.34 94.13 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.186 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.418 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 32.7 Cg_exo -60.09 162.25 17.16 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.316 2.011 . . . . 0.0 111.825 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.419 HG22 HG13 ' A' ' 28' ' ' ILE . 19.8 m -74.64 121.67 26.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 121.337 0.589 . . . . 0.0 112.168 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -114.47 153.59 29.69 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.666 179.037 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.454 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 20.3 p90 -153.48 169.19 23.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.979 0.419 . . . . 0.0 111.309 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.449 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.95 128.54 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.457 179.649 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.7 mt -108.59 -21.25 12.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.428 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 8.2 mm-40 -128.22 143.99 51.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.983 0.42 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.87 -11.99 43.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.834 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -80.99 0.14 36.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.26 21.3 17.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.311 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.431 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 2.3 mt-10 -79.81 116.87 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.525 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.449 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -110.86 130.57 55.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.01 0.433 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.498 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 75.5 m-85 -121.16 166.8 13.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.509 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.431 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 5.1 mtm -132.69 151.14 52.05 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.448 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.447 ' HA ' ' O ' ' A' ' 89' ' ' THR . 12.1 mt -79.0 118.8 27.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.74 -31.44 53.77 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.058 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -60.94 -40.86 94.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.208 0.528 . . . . 0.0 109.904 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -70.49 -39.23 74.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.96 179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.7 t -64.25 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.289 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.98 -50.77 60.75 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.247 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 23.7 p30 -64.33 -33.04 74.93 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.097 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.5 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -61.4 -42.82 99.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.891 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.3 mp -94.2 -2.72 52.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.027 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 68.57 30.56 5.09 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.484 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.1 mtt -100.98 126.09 47.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.202 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -126.63 175.07 8.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.138 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 57.42 37.8 28.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.46 22.83 68.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.52 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.6 t -61.62 -33.99 74.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.828 0.347 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 tp -64.99 -52.14 57.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.757 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -66.13 -38.91 89.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -68.0 -35.69 78.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -88.02 -13.53 41.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.339 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.492 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 82.2 m-85 -133.81 66.28 72.49 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.79 0.328 . . . . 0.0 111.016 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.405 ' HB2' ' CG2' ' A' ' 110' ' ' VAL . 24.3 Cg_exo -63.13 -30.27 75.08 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.758 2.305 . . . . 0.0 112.746 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.416 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . 1.3 t -77.71 -3.92 43.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.594 0.235 . . . . 0.0 111.228 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.0 tp -77.54 139.8 39.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 111.239 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.507 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 71.0 t90 -77.14 116.3 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.589 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.8 ppt_? -139.25 139.01 37.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.135 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.505 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -151.78 166.16 32.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.938 0.399 . . . . 0.0 111.354 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.13 153.03 20.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.432 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.95 131.13 53.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.012 0.434 . . . . 0.0 111.8 -179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.2 p -72.11 171.53 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.244 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.573 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 20.2 t -59.62 -34.22 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.101 0.476 . . . . 0.0 110.274 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -70.49 -47.3 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.051 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.52 -45.05 92.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.234 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.4 OUTLIER -62.17 -43.57 98.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.759 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.474 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -60.23 -41.19 92.6 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.1 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.474 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 40.1 mttt -68.4 -34.78 76.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.023 178.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.454 HG12 ' CZ ' ' A' ' 17' ' ' PHE . 24.9 mt -59.78 -51.25 75.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.147 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.6 t -59.7 -49.12 84.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.73 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.31 -45.06 61.63 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -75.83 -51.27 12.94 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 t -73.18 -51.59 17.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.791 0.329 . . . . 0.0 111.462 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.2 m170 -99.95 158.75 15.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.087 0.47 . . . . 0.0 111.516 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.07 -40.1 1.69 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.6 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -31.27 68.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.355 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -110.43 115.34 29.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.6 m -122.49 130.24 52.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -127.93 93.61 39.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.51 119.67 6.69 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.477 2.118 . . . . 0.0 112.342 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -159.08 -56.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.63 -36.28 4.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -145.17 134.9 23.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -70.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -131.81 119.94 21.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.42 127.96 2.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.434 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -104.44 -40.43 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 89.4 m 52.73 50.79 17.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -163.92 -43.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.24 45.83 1.27 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.952 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.421 ' CB ' ' CZ ' ' A' ' 60' ' ' ARG . . . -134.43 -34.54 0.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.641 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.85 -34.46 69.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.813 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.3 p -159.01 108.23 1.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.4 t -112.49 132.95 59.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.938 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -90.78 128.47 36.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.428 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.406 HD22 ' CZ ' ' A' ' 17' ' ' PHE . 0.4 OUTLIER -106.54 144.67 32.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 111.477 -179.505 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.0 mp -139.42 156.31 47.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.572 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.507 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 7.1 mmtt -78.38 121.17 24.14 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.33 -42.84 53.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.657 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -39.05 89.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.012 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 6.8 mt-10 -68.66 -49.34 59.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.697 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.44 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 21.2 t -60.51 -47.59 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.134 0.493 . . . . 0.0 110.047 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.45 -40.84 72.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.78 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.621 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.5 mm-40 -61.61 -48.75 79.51 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.197 0.522 . . . . 0.0 110.461 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 3.0 mt -61.95 -39.22 82.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.797 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 21.6 mt -66.34 -33.96 76.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.055 178.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -77.8 -14.65 59.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.954 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.47 3.87 53.11 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.584 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.621 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 31.0 t30 -104.3 111.3 23.87 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.509 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 13.4 p-10 -166.11 16.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.12 -39.03 68.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.947 0.403 . . . . 0.0 111.045 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -70.17 -26.82 64.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.509 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.1 m-85 -81.4 -40.0 24.12 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.674 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -70.1 -22.67 63.01 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.622 -179.226 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -109.09 29.73 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.416 ' HA ' ' CB ' ' A' ' 49' ' ' SER . 14.8 p 42.37 31.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.943 0.401 . . . . 0.0 111.462 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m -95.35 155.83 16.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 32.4 mt -140.82 -45.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.15 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.4 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.906 179.935 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.5 p -118.51 119.25 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.65 114.21 12.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.996 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.3 mmt -96.04 -32.83 12.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.73 111.19 23.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.22 142.96 44.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt -134.34 111.12 9.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.9 m -135.13 168.32 19.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -104.27 5.95 35.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.362 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.496 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.8 p -132.9 137.53 46.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.731 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.31 126.36 22.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.335 -179.709 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.49 -170.75 28.64 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 119.852 -1.166 . . . . 0.0 112.968 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -67.72 156.82 36.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.77 142.02 93.26 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.428 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 29.7 Cg_exo -60.07 162.15 17.35 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.298 1.999 . . . . 0.0 111.771 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 ' CG1' ' CD2' ' A' ' 68' ' ' HIS . 29.6 m -74.48 121.08 25.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-O 121.234 0.54 . . . . 0.0 112.384 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.486 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -114.84 147.95 39.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.704 179.141 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -147.68 169.06 20.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.975 0.416 . . . . 0.0 111.383 -179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -103.03 127.9 50.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.41 179.572 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.6 mt -109.04 -23.51 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.345 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -121.55 143.75 49.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.938 0.399 . . . . 0.0 110.999 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -12.08 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.775 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.31 -3.64 53.19 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.03 26.05 7.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.0 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.49 116.8 22.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.544 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.439 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.8 m-85 -110.35 132.22 54.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.494 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 88.1 m-85 -123.9 166.7 15.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.464 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' MET . . . . . 0.486 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 6.3 mtm -134.15 146.91 50.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.655 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.45 HG13 HG22 ' A' ' 15' ' ' VAL . 14.6 mt -74.84 118.92 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.45 44.07 Favored Glycine 0 C--N 1.332 0.319 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.012 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 33.8 t -64.16 -41.91 96.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.202 0.525 . . . . 0.0 109.754 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -69.79 -39.27 76.7 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.117 179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 19.9 t -66.0 -40.77 88.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.298 179.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.33 -50.75 63.53 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.107 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.4 p30 -64.22 -33.05 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.043 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.496 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 4.5 t80 -60.27 -42.9 96.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.855 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -94.28 -3.51 50.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.802 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 68.57 31.32 4.79 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.44 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.1 mtp -102.19 126.21 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.027 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -126.55 173.1 9.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.146 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.13 44.37 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.792 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.12 16.92 58.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.404 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.6 t -57.99 -33.8 69.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.829 0.347 . . . . 0.0 110.981 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 tp -64.87 -51.39 62.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.05 -39.01 79.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -32.47 74.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.018 0.437 . . . . 0.0 110.445 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -92.01 -16.52 26.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.11 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.436 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 65.3 m-85 -133.68 64.01 66.08 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.041 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -61.99 -31.97 84.2 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.661 2.24 . . . . 0.0 112.747 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.8 -9.76 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.436 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 2.9 tp -74.22 133.89 42.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.567 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 63.2 t90 -71.86 120.6 17.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -139.58 138.35 36.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.596 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.567 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.4 159.42 41.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.753 0.311 . . . . 0.0 111.356 179.701 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.56 130.88 38.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.44 142.68 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.617 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.438 ' N ' ' HB2' ' A' ' 59' ' ' GLU . 7.8 p -71.84 169.5 15.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.391 179.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.84 -49.66 57.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.065 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -33.12 74.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.917 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' HB2' ' N ' ' A' ' 56' ' ' THR . 20.7 mt-10 -64.87 -43.57 92.54 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.291 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -62.63 -41.82 99.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.025 179.406 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -57.72 -46.5 84.33 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -34.94 77.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.011 178.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.405 ' O ' ' CB ' ' A' ' 67' ' ' SER . 22.1 mt -59.62 -49.75 82.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.731 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.6 t -58.58 -43.71 87.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.385 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.29 -45.07 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 m -78.93 -51.37 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 8.0 t -59.78 -56.15 25.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.724 0.297 . . . . 0.0 111.323 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.471 ' CD2' ' CG1' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -176.52 -92.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.224 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.37 53.64 0.42 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt 61.06 109.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -78.33 109.15 12.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.3 p -140.66 153.94 46.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' CB ' ' CD ' ' A' ' 74' ' ' PRO . 0.1 OUTLIER -68.86 -61.13 3.79 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.002 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 73' ' ' LYS . 53.7 Cg_endo -69.68 139.01 39.43 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.489 2.126 . . . . 0.0 112.291 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -148.05 89.37 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.91 -35.63 5.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.92 149.85 23.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -169.09 113.92 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -147.46 -83.29 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.01 2.37 2.95 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.991 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 57.73 164.56 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.838 0.351 . . . . 0.0 111.094 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.3 t -124.01 30.67 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 m -159.14 158.91 33.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.0 tt 59.64 27.25 16.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.3 21.15 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.357 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.05 -33.29 6.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.87 108.66 2.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.6 t -121.31 119.79 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.987 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.48 114.2 26.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.455 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.0 mp -96.88 148.83 22.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.006 0.432 . . . . 0.0 111.335 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -135.18 156.09 49.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.392 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.505 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 5.5 mmtp -70.99 122.04 19.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 0.0 110.722 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.58 -38.42 59.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.327 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -64.9 -35.9 82.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.069 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.46 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -67.94 -49.52 61.28 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.067 0.461 . . . . 0.0 110.515 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.454 ' O ' ' HG ' ' A' ' 100' ' ' LEU . 11.4 t -62.5 -47.61 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.31 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -54.83 -41.48 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.611 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.8 mm-40 -63.08 -48.74 77.35 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.208 0.528 . . . . 0.0 110.499 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.1 mt -61.89 -39.21 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.671 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 18.0 mt -66.06 -34.85 79.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.151 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -14.37 59.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.058 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.46 3.89 53.12 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.427 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.611 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 11.9 t30 -104.19 111.22 23.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.477 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.9 p-10 -166.54 16.65 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -56.49 -34.82 67.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -74.2 -26.35 60.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.7 m-85 -80.82 -38.27 28.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.395 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -72.51 -11.67 60.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.242 -179.318 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.13 23.88 11.84 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.2 p 43.39 31.36 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.946 0.403 . . . . 0.0 111.655 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 90.3 p -100.68 147.47 25.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.031 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -162.46 53.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.077 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.875 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HD2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD2' ' HD2' ' A' ' 13' ' ' LYS . 31.6 Cg_exo -59.8 160.71 20.49 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.421 2.081 . . . . 0.0 111.995 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.798 HG22 ' HG3' ' A' ' 31' ' ' GLU . 17.8 m -72.85 117.28 16.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-O 121.193 0.52 . . . . 0.0 111.722 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.0 OUTLIER -111.17 150.35 29.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.931 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.741 ' CE2' HD23 ' A' ' 90' ' ' LEU . 20.1 p90 -149.81 168.29 24.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.939 0.399 . . . . 0.0 111.186 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.48 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -102.77 127.95 49.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.265 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.57 HD11 HD22 ' A' ' 90' ' ' LEU . 4.6 mt -108.52 -21.3 12.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.418 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 2.4 mt-10 -128.16 143.97 51.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.001 0.429 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -12.14 28.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.943 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.16 2.37 27.91 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 111.882 0.326 . . . . 0.0 111.882 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.83 10.28 55.4 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.41 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.4 mt-10 -69.63 116.68 10.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.054 0.454 . . . . 0.0 110.604 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.48 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 5.7 m-85 -110.98 134.89 52.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.141 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.484 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 73.4 m-85 -123.96 166.67 15.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.467 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -132.54 147.69 52.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.431 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.767 HD12 HG21 ' A' ' 15' ' ' VAL . 17.6 mt -76.15 120.45 26.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.147 0.499 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.7 -28.81 47.51 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.936 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.441 ' H ' HG22 ' A' ' 28' ' ' ILE . 14.9 m -61.49 -42.2 98.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.081 0.467 . . . . 0.0 109.828 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.798 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.6 mm-40 -69.86 -42.22 73.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.972 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.648 ' O ' HD12 ' A' ' 36' ' ' LEU . 34.1 t -61.4 -40.88 87.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.308 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 43' ' ' LEU . . . -62.43 -50.7 62.19 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.208 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.2 p30 -65.94 -32.8 74.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.988 0.423 . . . . 0.0 110.219 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.487 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.3 t80 -59.83 -43.03 94.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.768 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.648 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mt -95.25 -4.0 46.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 68.45 32.27 4.55 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.42 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.1 126.1 47.77 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -126.49 175.0 8.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.103 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 60.4 36.93 20.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.754 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.83 19.45 67.48 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -33.96 70.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.336 . . . . 0.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -64.87 -48.54 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -72.26 -38.99 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -30.08 66.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.759 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.69 -24.07 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.721 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 69.0 m-85 -122.64 74.03 43.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.929 0.395 . . . . 0.0 111.147 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.69 -32.1 92.78 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.951 2.434 . . . . 0.0 113.362 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.61 7.45 29.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.721 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.9 tp -84.07 129.34 34.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 0.0 111.19 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.551 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 68.5 t90 -69.86 116.31 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.841 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.52 138.43 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.698 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 12.5 ptt180 -154.52 166.1 34.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 111.247 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.96 147.98 22.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.526 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 1.048 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -99.18 142.05 31.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.385 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.1 p -71.97 167.54 19.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.152 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.6 -40.56 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.033 0.444 . . . . 0.0 110.315 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.07 -42.05 81.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.963 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.465 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 36.6 mt-10 -61.36 -45.29 95.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.503 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.697 ' CD ' HG23 ' A' ' 88' ' ' VAL . 6.5 mtm-85 -60.9 -42.32 97.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.388 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -57.58 -46.06 84.46 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 mttm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.064 178.668 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.697 HG23 ' CD ' ' A' ' 60' ' ' ARG . 31.6 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.855 0.36 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.3 p -94.86 119.66 33.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.49 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.048 HD11 ' HB2' ' A' ' 55' ' ' ALA . 1.8 mp -96.78 149.14 22.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 111.289 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.501 HD21 HD23 ' A' ' 50' ' ' LEU . 1.7 mp -136.05 156.77 48.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.545 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.551 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 18.3 mmtt -72.28 122.05 20.45 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 110.704 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -52.88 -38.94 62.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 0.7 OUTLIER -65.02 -35.03 79.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.903 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.49 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -67.92 -49.39 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.015 0.436 . . . . 0.0 110.548 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.647 ' HA ' HD12 ' A' ' 99' ' ' ILE . 25.2 t -63.29 -43.67 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.442 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.2 -44.57 79.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.764 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.1 mm-40 -62.32 -48.37 80.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.053 0.454 . . . . 0.0 110.761 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 50' ' ' LEU . 4.3 mt -61.56 -39.18 82.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 13.6 mt -65.64 -35.79 81.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.843 178.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.81 -13.26 59.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.269 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.29 3.8 53.69 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.604 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 11.4 t30 -104.2 111.23 23.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.48 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 5.3 p-10 -168.31 19.0 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.49 -38.02 73.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.862 0.363 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -74.1 -21.06 60.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.48 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 24.7 m-85 -83.64 -33.13 25.34 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.817 0.341 . . . . 0.0 111.486 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.464 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -78.56 -32.19 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.73 -178.485 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.882 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.652 0.263 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 32.2 Cg_exo -59.82 159.34 25.28 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.368 2.045 . . . . 0.0 112.14 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.777 HG22 ' HG3' ' A' ' 31' ' ' GLU . 16.0 m -72.78 116.43 14.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.433 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -112.64 147.88 35.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.043 179.77 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.62 ' CE2' HD23 ' A' ' 90' ' ' LEU . 16.5 p90 -147.57 167.92 23.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.915 0.388 . . . . 0.0 111.465 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.457 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -102.98 127.97 49.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.239 179.485 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.441 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.6 mt -107.61 -23.44 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.551 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 2.3 mm-40 -125.76 143.94 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.979 0.418 . . . . 0.0 111.318 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.05 -12.11 24.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.951 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -81.1 3.25 24.06 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.94 11.63 54.42 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.368 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -70.07 116.79 10.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.027 0.441 . . . . 0.0 110.7 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.1 m-85 -112.05 134.29 53.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.102 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 78.1 m-85 -125.02 166.55 16.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.663 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.47 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.22 148.71 52.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.44 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.738 HD12 HG21 ' A' ' 15' ' ' VAL . 15.3 mt -78.59 122.25 33.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.091 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.97 -26.66 42.31 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.981 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.471 ' H ' HG22 ' A' ' 28' ' ' ILE . 9.8 p -62.78 -42.21 99.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.15 0.5 . . . . 0.0 109.881 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.777 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.5 mm-40 -71.11 -42.66 68.98 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.007 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.904 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.4 t -61.22 -40.8 87.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.347 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.67 -50.77 59.26 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.287 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.5 p30 -66.43 -33.1 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.261 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.489 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.7 t80 -61.12 -42.87 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.859 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.904 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -94.02 -4.51 49.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.93 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.57 32.47 4.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.504 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.0 mtp -100.99 126.05 47.64 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -126.75 175.0 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.223 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.48 39.49 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.27 19.58 62.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.398 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -60.15 -33.83 72.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.8 tp -65.49 -52.07 55.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.587 ' OH ' HG21 ' A' ' 89' ' ' THR . 25.3 m-85 -68.22 -39.04 82.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.011 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -70.31 -33.93 72.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.642 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -84.94 -17.91 36.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.067 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.58 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.5 m-85 -130.36 68.16 80.93 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.55 -32.31 79.84 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.536 2.158 . . . . 0.0 113.037 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 t -78.11 -1.18 31.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.559 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.616 HD11 HD11 ' A' ' 99' ' ' ILE . 9.0 tp -78.12 139.96 39.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.857 0.36 . . . . 0.0 111.185 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.625 ' O ' HD23 ' A' ' 91' ' ' LEU . 70.2 t90 -79.01 117.38 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.63 138.85 36.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.452 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -153.05 146.57 25.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.838 0.351 . . . . 0.0 111.295 179.6 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.94 153.16 41.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.627 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.988 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -105.19 137.06 43.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.53 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.631 HG23 ' OE1' ' A' ' 59' ' ' GLU . 13.2 p -71.99 171.37 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.371 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 31.9 t -61.39 -37.7 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.995 0.426 . . . . 0.0 110.648 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -70.29 -51.01 33.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.612 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.631 ' OE1' HG23 ' A' ' 56' ' ' THR . 69.5 mt-10 -61.28 -46.22 91.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 9.6 ptp180 -60.81 -41.97 96.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -45.0 87.6 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mttp . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.084 178.758 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.728 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 23.4 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.348 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.587 HG21 ' OH ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -95.45 125.92 40.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.602 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.988 HD11 ' HB2' ' A' ' 55' ' ' ALA . 3.4 mp -101.85 147.05 26.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.399 . . . . 0.0 111.313 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -135.55 156.53 48.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.753 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.542 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.6 mmtp -74.37 121.13 20.9 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.913 0.387 . . . . 0.0 111.024 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -49.63 -47.04 50.03 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.622 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.2 p -60.66 -37.19 80.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.427 ' OE2' ' CE1' ' A' ' 107' ' ' TYR . 10.3 mt-10 -68.98 -49.21 59.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 110.807 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.693 ' HA ' HD12 ' A' ' 99' ' ' ILE . 17.2 t -61.45 -49.28 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.105 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -55.13 -39.74 69.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.808 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.603 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.8 mm-40 -62.11 -48.55 79.66 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.231 0.538 . . . . 0.0 110.499 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.8 mt -61.89 -39.11 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.733 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 29.1 mt -66.75 -33.66 76.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.026 178.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -77.75 -14.58 59.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.957 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.64 3.81 52.61 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.624 -0.717 . . . . 0.0 112.589 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.603 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 23.3 t-20 -104.22 111.43 24.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.485 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 8.0 p-10 -168.64 18.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.93 -37.67 71.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.908 0.385 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.405 ' HE2' ' CD1' ' A' ' 107' ' ' TYR . 9.0 ptmt -74.08 -22.87 59.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.136 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 25.1 m-85 -81.9 -33.13 30.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.492 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -79.18 -30.55 43.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.355 -178.833 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -178.888 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HD3' ' CD1' ' A' ' 100' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 26.6 Cg_exo -63.2 159.3 39.9 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.635 2.223 . . . . 0.0 112.116 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.886 HG22 ' HG3' ' A' ' 31' ' ' GLU . 31.0 m -72.72 118.56 18.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.273 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.86 154.88 20.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.698 -179.535 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.576 ' CE2' HD21 ' A' ' 19' ' ' LEU . 17.2 p90 -153.29 169.34 23.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.64 127.98 49.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.769 HD12 ' CD2' ' A' ' 26' ' ' TYR . 68.4 mt -103.53 -31.08 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.048 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.0 147.78 46.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.016 0.436 . . . . 0.0 111.176 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.05 -11.81 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.857 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -81.06 3.53 22.94 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.38 19.47 27.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.36 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.88 117.0 18.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.546 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.419 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.6 m-85 -112.08 132.28 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.349 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.769 ' CD2' HD12 ' A' ' 19' ' ' LEU . 77.8 m-85 -124.03 166.53 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.606 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.423 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.37 148.12 52.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.55 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.697 HG13 HG23 ' A' ' 15' ' ' VAL . 18.5 mt -72.14 121.38 22.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.259 0.552 . . . . 0.0 111.258 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 91' ' ' LEU . . . -54.84 -33.38 56.12 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.784 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -59.8 -40.45 88.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.209 0.528 . . . . 0.0 109.808 179.111 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.886 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.1 mm-40 -66.45 -45.06 81.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.687 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.737 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.8 t -60.48 -40.42 84.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.196 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.56 -50.22 69.14 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.91 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 18.4 p30 -62.7 -32.77 73.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.048 0.451 . . . . 0.0 110.133 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.552 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -59.61 -43.59 93.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.563 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.737 HD12 ' O ' ' A' ' 32' ' ' VAL . 2.4 mp -99.96 1.4 42.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.635 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.01 26.72 7.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.357 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.5 mtt -101.01 125.98 47.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.252 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -126.84 174.75 8.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 55.41 36.49 27.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.51 22.59 78.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.497 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.71 -33.89 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.667 ' CD1' HD13 ' A' ' 36' ' ' LEU . 2.9 tp -64.97 -52.01 58.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' A' ' 91' ' ' LEU . 32.1 m-85 -65.26 -37.42 87.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -65.99 -34.21 77.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -92.43 -11.62 34.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.214 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.542 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 72.8 m-85 -133.03 66.73 76.61 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.69 0.281 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.73 -32.02 78.51 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.506 2.137 . . . . 0.0 112.813 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 107' ' ' TYR . 0.6 OUTLIER -76.51 -1.36 26.91 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.851 HD11 HD11 ' A' ' 99' ' ' ILE . 3.2 tp -82.32 132.94 35.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.586 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.6 t90 -69.98 122.0 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.41 138.79 36.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.883 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.485 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 9.2 mtm180 -151.63 166.21 31.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.158 0.504 . . . . 0.0 111.893 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.75 150.37 21.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.444 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.932 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -83.53 121.88 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.08 0.467 . . . . 0.0 112.166 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 p -71.98 171.88 11.03 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.706 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 21.0 t -55.73 -40.89 63.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.125 0.488 . . . . 0.0 110.794 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -47.11 63.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.301 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.556 ' HG2' HD22 ' A' ' 19' ' ' LEU . 86.4 mt-10 -60.11 -45.25 93.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.077 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 1.1 ptm180 -60.94 -45.43 94.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.722 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -57.73 -38.38 75.21 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.795 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.483 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 6.5 mttt . . . . . 0 N--CA 1.45 -0.425 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.695 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.424 ' HB ' ' CB ' ' A' ' 55' ' ' ALA . 3.9 t . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.819 0.342 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.13 122.48 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.613 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.932 HD11 ' HB2' ' A' ' 55' ' ' ALA . 4.4 mp -108.69 149.03 29.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.558 HD21 HD23 ' A' ' 50' ' ' LEU . 2.6 mp -136.07 156.68 48.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.732 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.586 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 7.6 mmtt -77.13 122.47 25.04 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.889 0.376 . . . . 0.0 110.764 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.25 -32.87 17.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.193 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.29 -42.58 96.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.446 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 2.4 mm-40 -67.13 -49.23 65.59 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.973 0.416 . . . . 0.0 110.602 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.608 ' HA ' HD12 ' A' ' 99' ' ' ILE . 14.7 t -61.44 -50.25 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.605 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -54.8 -39.83 68.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.932 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.646 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.4 mm-40 -62.83 -48.32 79.57 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.217 0.532 . . . . 0.0 110.688 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.851 HD11 HD11 ' A' ' 50' ' ' LEU . 4.3 mt -61.88 -39.41 83.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.761 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.552 HD22 ' CZ ' ' A' ' 35' ' ' TYR . 15.3 mt -65.57 -34.43 78.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.039 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -14.68 59.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.916 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.45 3.76 53.2 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.425 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.646 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 12.4 t30 -104.2 111.31 23.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.521 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 18.2 p-10 -165.84 15.06 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -56.1 -39.22 71.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -68.87 -26.32 65.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.749 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.521 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 18.8 m-85 -82.21 -38.42 24.58 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.561 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -75.13 -17.67 60.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.51 -179.129 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -178.825 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 4.4 tppp? . . . . . 0 CA--C 1.528 0.127 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 32.0 Cg_exo -59.82 158.27 29.61 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.324 2.016 . . . . 0.0 112.071 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.747 HG22 ' HG3' ' A' ' 31' ' ' GLU . 12.6 m -72.76 119.21 19.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.26 0.552 . . . . 0.0 111.786 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.15 160.3 18.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.933 179.383 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.713 ' CE2' HD23 ' A' ' 90' ' ' LEU . 19.3 p90 -158.81 168.04 27.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.938 0.399 . . . . 0.0 111.291 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.449 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.84 128.01 49.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.507 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.712 HD11 HD22 ' A' ' 90' ' ' LEU . 6.4 mt -107.64 -22.52 12.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.208 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 3.4 mm-40 -127.02 143.92 51.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.956 0.408 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -65.72 -11.87 49.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.739 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -81.1 0.51 35.8 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.37 26.01 9.71 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.239 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 17.1 mm-40 -84.31 116.87 23.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.876 0.338 . . . . 0.0 110.67 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.5 m-85 -111.68 134.12 53.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 111.023 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 88.0 m-85 -124.95 166.52 16.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.482 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.437 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -132.75 147.21 52.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.547 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.694 HD12 HG21 ' A' ' 15' ' ' VAL . 12.3 mt -77.86 121.21 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.109 0.481 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.91 -26.43 41.02 Favored Glycine 0 C--N 1.333 0.372 0 CA-C-N 115.83 -0.623 . . . . 0.0 113.039 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.427 ' H ' HG22 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -63.11 -42.51 99.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.084 0.469 . . . . 0.0 109.899 179.157 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.747 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.8 mm-40 -71.35 -41.45 69.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.071 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.921 ' O ' HD12 ' A' ' 36' ' ' LEU . 32.8 t -62.59 -40.74 89.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.377 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.71 -50.75 59.26 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.357 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.0 p30 -64.97 -32.99 74.98 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.03 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.5 t80 -61.37 -42.95 99.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.768 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.921 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -92.91 -4.13 53.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.945 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 68.75 31.85 4.32 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.547 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.4 mmm -101.61 126.18 48.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.085 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -126.6 174.97 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.126 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.74 33.76 23.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.804 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.13 19.11 79.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.493 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -58.37 -33.82 70.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.769 0.319 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.59 ' CD1' HD13 ' A' ' 36' ' ' LEU . 5.5 tp -64.83 -49.24 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.753 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -71.45 -35.14 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.779 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -34.74 75.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.324 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -86.71 -18.48 31.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.73 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.509 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 99.4 m-85 -135.18 60.73 41.4 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 21.0 Cg_exo -64.96 -28.16 58.07 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.367 2.045 . . . . 0.0 112.62 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -3.77 45.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 95' ' ' GLU . 7.6 tp -75.55 140.54 42.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.529 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.526 ' CH2' ' CE2' ' A' ' 26' ' ' TYR . 78.0 t90 -69.29 122.29 18.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.767 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.12 138.63 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.783 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.424 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 4.5 mtt-85 -149.69 166.03 30.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.195 0.522 . . . . 0.0 111.639 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.13 151.88 19.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.41 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 1.002 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -107.62 133.74 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.049 0.452 . . . . 0.0 111.715 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 p -71.91 171.38 11.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.445 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.58 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 37.7 t -59.52 -33.45 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.152 0.501 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -70.48 -46.81 63.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.724 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -62.66 -47.83 81.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.96 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -60.77 -39.03 87.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.201 179.792 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -58.05 -48.17 80.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.763 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.304 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.679 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 12.6 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.776 0.322 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.1 p -90.89 114.46 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.232 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.002 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.3 mp -96.91 147.22 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.07 0.462 . . . . 0.0 111.626 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 90' ' ' LEU . 11.0 mp -135.27 156.32 49.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.484 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.508 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 15.6 mmtt -69.99 121.59 17.7 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.867 0.365 . . . . 0.0 110.824 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.89 -50.39 57.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.5 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 98' ' ' GLU . 39.5 p -56.53 -33.91 66.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.078 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.749 ' HB3' HD11 ' A' ' 50' ' ' LEU . 19.4 mt-10 -67.58 -49.47 63.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.921 0.391 . . . . 0.0 110.791 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.734 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.2 t -63.38 -34.8 69.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.314 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -45.1 95.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.326 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 1.7 mt-10 -62.03 -48.29 80.96 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.383 0.611 . . . . 0.0 110.673 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.917 HG23 ' OD2' ' A' ' 104' ' ' ASP . 3.6 mt -61.68 -38.94 81.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.695 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 14.6 mt -65.75 -35.31 80.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.55 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.55 -15.88 58.99 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.209 0.528 . . . . 0.0 109.795 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.89 3.06 52.26 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.57 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 18.5 p-10 -105.15 110.68 23.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.917 ' OD2' HG23 ' A' ' 99' ' ' ILE . 22.5 p30 -160.13 8.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.414 ' HA ' ' HG3' ' A' ' 108' ' ' LYS . 8.8 mt-10 -51.67 -31.91 27.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.688 0.28 . . . . 0.0 111.403 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.44 ' HD2' ' CZ ' ' A' ' 107' ' ' TYR . 1.8 ptpp? -67.97 -33.74 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.481 ' CE2' ' HG2' ' A' ' 95' ' ' GLU . 19.5 m-85 -81.06 -31.08 34.61 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -84.86 -5.83 59.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.736 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.955 -179.051 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HD2' ' CD1' ' A' ' 100' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.128 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 24.1 Cg_exo -64.43 160.22 40.4 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.596 2.197 . . . . 0.0 112.288 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.88 HG22 ' HG3' ' A' ' 31' ' ' GLU . 26.4 m -72.66 117.8 16.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.271 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.67 156.74 18.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.587 -179.358 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.752 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 24.5 p90 -155.4 166.48 33.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.444 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.85 127.86 49.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.384 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.52 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.5 mt -108.94 -25.72 10.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.171 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -120.1 143.84 47.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.892 0.377 . . . . 0.0 111.013 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -66.69 -12.06 56.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.713 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -81.33 -0.02 39.18 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.1 25.98 9.18 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.432 -0.89 . . . . 0.0 113.135 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -82.32 116.73 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 0.0 110.573 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.444 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 7.1 m-85 -111.0 131.75 54.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.172 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.531 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 88.2 m-85 -124.63 166.5 16.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.662 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.413 ' HE3' ' CE ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -130.99 148.79 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.42 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.667 HG13 HG23 ' A' ' 15' ' ' VAL . 14.4 mt -75.44 123.31 31.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-O 121.333 0.587 . . . . 0.0 111.238 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.9 -29.94 52.12 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.891 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.436 ' H ' HG22 ' A' ' 28' ' ' ILE . 72.7 m -61.88 -41.27 97.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.213 0.53 . . . . 0.0 109.828 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.88 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.1 mm-40 -67.52 -44.68 77.83 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.812 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.824 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.8 t -60.79 -40.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.089 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.22 69.2 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.968 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 18.8 p30 -62.64 -32.88 74.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.424 . . . . 0.0 110.118 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -59.55 -43.51 93.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.474 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.861 HD13 ' CD1' ' A' ' 43' ' ' LEU . 2.7 mp -99.61 1.29 43.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.687 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.73 26.35 9.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.39 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 125.93 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.32 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -126.9 174.43 8.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 54.75 43.4 30.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.967 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.86 21.74 71.56 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.554 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -66.4 -33.78 76.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.821 0.343 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.861 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.5 tp -64.84 -50.71 65.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.761 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.429 ' HE1' HD11 ' A' ' 91' ' ' LEU . 30.0 m-85 -66.36 -36.45 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -37.64 88.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.608 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.36 -12.75 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.167 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.48 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.6 m-85 -135.36 62.76 52.1 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.746 0.308 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 39.4 Cg_exo -60.5 -31.98 93.09 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.661 2.241 . . . . 0.0 112.913 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -14.88 61.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.453 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.889 HD11 HD11 ' A' ' 99' ' ' ILE . 3.6 tp -67.2 132.97 48.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 111.115 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.603 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 68.1 t90 -69.84 117.3 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.56 138.89 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 6.4 ptt180 -152.84 156.63 39.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.841 0.353 . . . . 0.0 111.208 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.86 153.09 27.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 1.065 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -108.85 135.35 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.03 0.443 . . . . 0.0 111.627 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.712 HG23 ' OE1' ' A' ' 59' ' ' GLU . 6.2 p -74.84 171.42 14.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.807 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 39.5 t -54.3 -49.24 65.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.333 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.09 -38.31 88.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.208 0.528 . . . . 0.0 109.684 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.712 ' OE1' HG23 ' A' ' 56' ' ' THR . 17.7 mt-10 -61.27 -46.92 88.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.758 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -60.88 -38.4 85.51 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.672 0.272 . . . . 0.0 110.299 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.497 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 10.5 mttp -58.17 -48.71 79.43 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.352 178.926 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.805 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 29.0 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.765 0.317 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.7 p -90.85 121.06 32.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.684 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.065 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.2 mp -101.82 146.07 28.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.468 HD21 HD23 ' A' ' 50' ' ' LEU . 3.9 mp -136.49 150.47 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.398 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.603 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 5.5 mmmt -73.67 122.44 22.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.896 0.379 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.83 -34.02 18.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.362 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.4 m -63.1 -42.65 99.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.476 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 1.5 mm-40 -68.01 -49.42 61.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.913 0.387 . . . . 0.0 110.694 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.4 t -61.82 -50.09 81.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.825 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -54.73 -42.18 71.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.741 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.522 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -60.82 -48.54 81.34 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.983 0.42 . . . . 0.0 110.938 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.889 HD11 HD11 ' A' ' 50' ' ' LEU . 4.2 mt -61.97 -39.26 83.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 13' ' ' LYS . 6.5 mt -63.91 -36.97 85.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.094 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -77.38 -14.06 59.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.24 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.33 3.83 53.53 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.557 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.522 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 15.2 t-20 -104.16 110.86 23.21 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 14.0 p-10 -164.21 15.59 0.05 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.81 -44.1 69.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.999 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -29.44 70.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.552 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 18.4 m-85 -80.24 -43.93 20.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.358 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -69.5 -11.96 61.26 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.135 -179.688 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.209 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.558 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? . . . . . 0 C--O 1.231 0.105 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 27.0 Cg_exo -60.23 162.32 17.38 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.124 1.883 . . . . 0.0 111.679 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.779 HG22 ' HG3' ' A' ' 31' ' ' GLU . 24.3 m -75.86 120.87 26.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.366 0.603 . . . . 0.0 112.282 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -114.03 152.04 31.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.712 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.562 ' HE1' HD21 ' A' ' 90' ' ' LEU . 17.3 p90 -152.41 169.23 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 111.262 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -102.92 128.2 49.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.379 179.691 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.6 mt -109.03 -19.87 13.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.459 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 3.1 mm-40 -129.24 143.96 51.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 111.212 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.56 -12.02 29.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.989 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -81.22 3.08 25.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.3 10.21 56.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.541 -0.838 . . . . 0.0 113.359 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 2.0 tt0 -69.22 116.7 9.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.766 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.469 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 5.4 m-85 -111.32 132.86 54.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.206 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.566 ' CB ' HD23 ' A' ' 90' ' ' LEU . 85.4 m-85 -122.85 166.58 14.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.617 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.495 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 6.3 mtm -133.81 148.28 51.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.452 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.689 HG13 HG23 ' A' ' 15' ' ' VAL . 11.5 mt -75.0 119.29 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.082 0.468 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.61 -32.06 53.36 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.78 -0.646 . . . . 0.0 113.111 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.6 p -62.48 -39.64 94.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.779 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -69.08 -40.49 78.4 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.055 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.916 ' O ' HD12 ' A' ' 36' ' ' LEU . 33.1 t -66.03 -40.76 88.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.472 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.0 -50.75 64.06 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.402 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 9.2 p30 -65.26 -33.07 75.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.031 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.413 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.0 t80 -59.82 -42.78 94.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.719 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.916 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.4 mp -95.27 -3.41 47.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.883 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.61 29.69 5.35 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.289 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -102.28 126.07 49.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.14 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -126.59 175.13 8.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 58.72 42.74 19.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.005 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.37 25.08 62.26 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.426 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -64.99 -33.9 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.697 ' CD1' HD13 ' A' ' 36' ' ' LEU . 1.5 tp -64.81 -45.74 84.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.95 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.549 ' HE2' HD11 ' A' ' 91' ' ' LEU . 25.0 m-85 -70.54 -39.14 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -41.31 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.749 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.411 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -75.19 -28.06 59.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.882 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.56 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 58.9 m-85 -125.56 73.83 68.88 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.69 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.39 -29.14 62.87 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.543 2.162 . . . . 0.0 112.277 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.15 -2.65 45.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.435 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.577 ' CD1' HD11 ' A' ' 99' ' ' ILE . 7.3 tp -78.84 131.69 36.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 111.246 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 71.4 t90 -69.97 116.15 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -139.6 138.34 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.697 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.617 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.56 163.31 40.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 111.586 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.26 135.37 38.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.459 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.893 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -83.96 143.48 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.957 0.408 . . . . 0.0 111.644 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.9 p -72.98 168.49 18.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.095 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.7 t -53.64 -39.34 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.181 0.515 . . . . 0.0 110.326 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -68.33 -44.39 75.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.073 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.637 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 26.1 mt-10 -60.51 -44.19 96.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.601 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.725 ' CD ' HG23 ' A' ' 88' ' ' VAL . 7.0 mtm-85 -61.02 -43.54 98.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.436 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -44.52 85.84 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.971 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.725 HG23 ' CD ' ' A' ' 60' ' ' ARG . 33.2 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.855 0.36 . . . . 0.0 111.294 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.9 131.39 36.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.307 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.893 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -114.12 145.2 41.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.025 0.44 . . . . 0.0 111.54 -179.451 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 90' ' ' LEU . 6.4 mp -136.36 154.07 50.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.467 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.583 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 13.7 mmtt -76.31 122.27 24.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 110.792 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.94 -32.84 22.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.98 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 7.6 t -64.19 -42.54 96.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.492 ' HB3' HD12 ' A' ' 50' ' ' LEU . 1.8 mm-40 -67.1 -49.28 65.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.662 ' HA ' HD12 ' A' ' 99' ' ' ILE . 7.1 t -62.82 -40.41 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.886 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.43 -45.62 91.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.723 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.48 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.1 mm-40 -61.41 -48.01 83.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 96' ' ' VAL . 4.2 mt -61.4 -39.28 82.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.974 0.416 . . . . 0.0 109.91 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 12.2 mt -65.4 -35.67 81.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.837 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -77.89 -13.11 59.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.227 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.18 3.86 53.98 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.702 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 55.9 t30 -104.31 111.18 23.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.511 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.8 p-10 -164.87 15.96 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.388 -0.525 . . . . 0.0 112.407 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.51 -43.88 76.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.932 0.396 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -25.38 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 16.9 m-85 -83.75 -46.03 12.69 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.355 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -66.09 -14.58 61.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.373 -179.422 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.164 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.04 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.712 0.291 . . . . 0.0 110.227 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.6 Cg_exo -59.74 156.96 34.9 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.334 2.023 . . . . 0.0 112.069 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.796 HG22 ' HG3' ' A' ' 31' ' ' GLU . 14.2 m -72.87 116.1 14.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.549 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -108.55 155.83 20.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.872 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.743 ' CE2' HD23 ' A' ' 90' ' ' LEU . 26.2 p90 -152.92 167.65 28.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.421 . . . . 0.0 111.45 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -103.06 127.92 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.436 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.692 HD11 HD22 ' A' ' 90' ' ' LEU . 8.1 mt -108.78 -25.95 10.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -120.67 143.88 48.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -66.53 -12.18 56.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.714 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -0.16 39.88 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.58 22.88 10.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.094 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -78.56 116.87 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.547 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 7.1 m-85 -111.6 133.72 53.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.053 0.454 . . . . 0.0 111.03 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 82.1 m-85 -124.84 166.67 15.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.475 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.435 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.62 145.35 51.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.478 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.677 HD12 HG21 ' A' ' 15' ' ' VAL . 13.2 mt -75.46 121.9 28.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.733 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.77 -27.33 43.13 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.035 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.435 ' H ' HG22 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -62.73 -42.31 99.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.17 0.509 . . . . 0.0 109.941 179.156 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.796 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -70.83 -43.27 68.9 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.18 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.891 ' O ' HD12 ' A' ' 36' ' ' LEU . 22.0 t -61.51 -40.67 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.5 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.48 -50.72 60.04 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 20.0 p30 -66.63 -33.03 74.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.002 0.43 . . . . 0.0 110.381 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.463 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.3 t80 -60.89 -42.9 98.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.782 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.891 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.82 -4.1 47.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 68.66 31.1 4.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.527 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.7 mmt -101.35 126.1 48.07 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.77 175.04 8.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.171 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 57.84 44.41 20.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.809 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.28 19.53 46.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -57.42 -33.9 68.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.718 HD11 HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -64.87 -52.06 58.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -68.69 -38.56 80.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -33.57 73.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -88.96 -17.71 28.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.27 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.489 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 89.6 m-85 -131.17 69.36 82.27 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.0 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.58 -32.13 79.65 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.645 2.23 . . . . 0.0 112.801 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.69 -5.06 43.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.395 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.731 HD11 HD11 ' A' ' 99' ' ' ILE . 4.0 tp -77.03 134.79 38.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 111.083 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.674 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 64.8 t90 -75.93 120.23 20.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.7 138.56 36.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.839 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.674 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.16 158.04 39.76 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 111.495 179.413 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.427 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -85.53 136.7 33.3 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.626 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 1.062 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -86.9 133.91 33.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.061 0.457 . . . . 0.0 111.838 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.401 ' N ' ' HB2' ' A' ' 59' ' ' GLU . 9.2 p -72.68 171.5 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.38 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 24.5 t -53.89 -49.29 60.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.104 0.478 . . . . 0.0 110.445 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.56 -41.2 98.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.765 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.594 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 1.1 mt-10 -59.61 -45.23 92.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.68 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -60.86 -38.72 86.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.739 0.304 . . . . 0.0 110.231 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 9.5 mttp -58.26 -48.5 80.23 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 mttt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.419 178.935 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.809 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 48.0 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.822 0.344 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 p -92.0 116.72 29.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.062 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.3 mp -100.54 147.4 25.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.562 HD21 HD23 ' A' ' 50' ' ' LEU . 2.4 mp -134.31 157.07 47.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.555 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.1 mmtp -73.15 121.88 20.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.863 0.364 . . . . 0.0 110.717 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.17 -43.18 52.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.518 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.45 -37.8 82.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.466 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -68.22 -49.37 61.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.579 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.3 t -62.3 -50.89 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -38.53 67.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.838 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.629 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.4 mm-40 -63.09 -48.85 76.85 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.267 0.556 . . . . 0.0 110.448 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 50' ' ' LEU . 4.2 mt -62.91 -39.19 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 18.2 mt -65.24 -34.39 78.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.905 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.82 -15.21 59.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.933 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.41 3.95 53.23 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.519 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.629 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 8.4 t30 -104.41 111.24 23.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.494 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 13.9 p-10 -164.41 14.05 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -55.24 -38.14 68.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.796 0.331 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.435 ' HE2' ' CE1' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -68.71 -28.41 66.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.466 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 23.7 m-85 -80.19 -46.12 16.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.408 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -65.15 -14.97 61.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.5 -179.157 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.046 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.093 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 13' ' ' LYS . 31.5 Cg_exo -59.71 156.79 35.68 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.264 1.976 . . . . 0.0 111.76 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.857 HG22 ' HG3' ' A' ' 31' ' ' GLU . 13.6 m -72.75 118.23 17.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 CA-C-O 121.22 0.533 . . . . 0.0 111.62 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.58 159.93 17.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.759 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.605 ' HE1' HD21 ' A' ' 90' ' ' LEU . 16.4 p90 -159.26 169.14 24.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.901 0.381 . . . . 0.0 111.292 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.99 128.41 49.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.598 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.495 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.3 mt -109.04 -17.13 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.489 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 11.7 mm-40 -132.47 143.87 50.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -65.07 -11.91 44.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.852 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.17 1.53 31.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.86 26.01 12.28 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.296 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.2 mt-10 -84.97 116.8 23.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.351 . . . . 0.0 110.599 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -110.81 132.32 54.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.223 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 87.0 m-85 -123.47 166.59 15.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.52 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.436 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -131.63 150.89 52.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.305 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.657 HG13 HG23 ' A' ' 15' ' ' VAL . 12.0 mt -78.97 121.84 32.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.008 0.432 . . . . 0.0 110.89 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.84 -32.48 55.36 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.906 -0.588 . . . . 0.0 113.065 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.6 m -60.86 -39.69 90.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.094 0.473 . . . . 0.0 109.926 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.857 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.1 mm-40 -69.82 -43.58 71.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.2 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.627 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.7 t -62.43 -40.91 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.551 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.502 ' HA2' HD13 ' A' ' 43' ' ' LEU . . . -62.25 -50.65 63.02 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 11.1 p30 -66.43 -33.05 74.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.032 0.444 . . . . 0.0 110.252 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.436 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.4 t80 -59.69 -43.11 94.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.82 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mt -95.13 -4.32 46.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 2.9 tmt_? 68.53 32.18 4.49 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.496 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.791 ' SD ' HD12 ' A' ' 43' ' ' LEU . 33.6 mtp -101.49 126.14 48.24 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.405 ' CZ ' ' HG2' ' A' ' 37' ' ' ARG . 2.1 m-85 -126.73 174.88 8.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.193 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 55.59 44.19 27.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.99 18.83 58.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.446 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -60.27 -34.05 73.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.875 0.369 . . . . 0.0 110.819 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.791 HD12 ' SD ' ' A' ' 38' ' ' MET . 0.6 OUTLIER -64.99 -52.08 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.433 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 11.1 m-85 -65.5 -39.01 91.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.81 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -41.9 98.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.73 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.66 -15.32 52.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.122 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.541 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 68.7 m-85 -133.78 66.74 73.68 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.77 -30.33 77.92 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.595 2.196 . . . . 0.0 112.632 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.34 3.81 19.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.537 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.566 ' CD1' HD11 ' A' ' 99' ' ' ILE . 9.2 tp -80.04 132.31 35.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.853 0.359 . . . . 0.0 111.277 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.593 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 68.5 t90 -71.19 116.2 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HD3' ' CD2' ' A' ' 44' ' ' TYR . 46.8 ptt85 -139.5 138.71 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.179 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.483 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -154.35 150.29 27.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.163 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 137.98 36.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.413 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.843 ' HB2' HD12 ' A' ' 90' ' ' LEU . . . -87.67 136.3 33.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.467 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.489 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.5 p -71.95 166.25 22.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.421 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.51 -41.25 44.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.009 0.433 . . . . 0.0 110.513 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.35 -43.87 84.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.837 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.93 -44.48 94.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.442 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.569 ' CD ' HG23 ' A' ' 88' ' ' VAL . 36.8 mtm-85 -60.99 -40.2 92.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.286 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -57.69 -48.58 79.13 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.123 178.687 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' CD ' ' A' ' 60' ' ' ARG . 34.7 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.865 0.364 . . . . 0.0 111.343 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.6 p -90.87 129.49 36.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.016 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -104.71 144.55 31.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.079 0.466 . . . . 0.0 111.639 -179.19 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.813 HD12 ' O ' ' A' ' 90' ' ' LEU . 4.6 mp -140.98 150.53 43.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.287 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.593 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 3.6 mmmp? -77.59 122.34 25.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.86 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.49 -32.85 19.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.234 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 82.8 p -63.82 -42.68 97.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.563 ' HB3' HD12 ' A' ' 50' ' ' LEU . 1.2 mm-40 -68.08 -49.39 61.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 110.663 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.666 ' HA ' HD12 ' A' ' 99' ' ' ILE . 3.9 t -62.65 -51.24 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.661 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.02 -38.75 68.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.82 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.647 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.2 mm-40 -63.0 -48.79 77.3 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.223 0.535 . . . . 0.0 110.564 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.2 mt -62.72 -39.35 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 19.1 mt -65.41 -34.28 77.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.055 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.72 -15.34 59.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.853 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.47 3.68 53.2 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.481 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.647 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 9.6 t-20 -104.5 111.13 23.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 8.0 p-10 -165.2 14.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -54.98 -38.57 67.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.83 0.347 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -67.76 -29.44 68.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.691 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.5 m-85 -78.83 -38.49 37.93 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.228 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -76.17 -6.82 53.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.078 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.163 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.306 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.693 0.282 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.432 ' CB ' ' HB3' ' A' ' 31' ' ' GLU . 11.0 Cg_endo -59.55 162.48 15.0 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.383 2.056 . . . . 0.0 112.114 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.8 HG21 HD12 ' A' ' 28' ' ' ILE . 12.9 m -72.34 119.12 18.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 121.453 0.644 . . . . 0.0 112.405 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -115.72 154.33 29.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.28 178.736 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.492 ' HE1' HD21 ' A' ' 90' ' ' LEU . 14.3 p90 -156.7 169.22 25.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.991 0.424 . . . . 0.0 111.663 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.451 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.91 129.96 49.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.216 179.391 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.6 mt -109.64 -18.35 13.5 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 4.8 mm-40 -133.06 145.73 51.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.059 0.457 . . . . 0.0 111.378 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -63.57 -11.88 28.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.043 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -80.9 1.24 31.76 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.63 23.06 22.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.382 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 3.7 mt-10 -80.46 116.72 20.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 0.0 110.606 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.7 m-85 -110.05 134.59 51.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 91.9 m-85 -128.7 166.56 18.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.551 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.426 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.93 146.96 51.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.389 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.8 HD12 HG21 ' A' ' 15' ' ' VAL . 19.0 mt -73.28 121.71 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.652 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.586 ' HA2' HD12 ' A' ' 91' ' ' LEU . . . -54.5 -33.13 53.62 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.13 -0.557 . . . . 0.0 113.163 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.5 p -63.23 -38.56 91.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.125 0.488 . . . . 0.0 110.048 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.737 ' OE1' HG13 ' A' ' 15' ' ' VAL . 3.2 mm-40 -71.73 -43.5 65.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.444 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.831 ' O ' HD12 ' A' ' 36' ' ' LEU . 41.4 t -63.89 -40.74 90.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.073 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.26 -50.45 67.47 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.027 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 19.4 p30 -62.51 -33.21 74.43 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.137 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.485 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.7 t80 -61.27 -43.07 99.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.781 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -91.85 -3.49 56.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.892 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.43 29.97 5.53 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.301 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.5 mtt -101.12 126.35 47.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.117 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -126.56 172.5 10.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.123 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? 57.74 44.16 20.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.57 21.5 62.73 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.361 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -61.57 -33.98 74.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.766 0.317 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.742 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.4 tp -64.84 -49.47 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.484 ' HE2' HD21 ' A' ' 91' ' ' LEU . 25.7 m-85 -71.79 -30.45 65.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -41.37 71.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.405 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.455 ' C ' ' HD3' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -81.06 -20.83 40.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.839 179.547 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.622 ' CE1' ' HG2' ' A' ' 108' ' ' LYS . 25.8 m-85 -127.9 62.56 57.34 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.455 ' HD3' ' C ' ' A' ' 46' ' ' ARG . 32.9 Cg_exo -62.73 -23.49 74.53 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.41 2.074 . . . . 0.0 112.913 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 p -87.32 8.04 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 99' ' ' ILE . 2.5 tp -89.46 140.13 29.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 111.117 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.678 ' O ' HD23 ' A' ' 91' ' ' LEU . 70.9 t90 -69.92 119.34 13.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.43 138.16 36.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.582 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.561 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.53 157.58 38.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.301 . . . . 0.0 111.307 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.414 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -97.4 130.74 44.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.706 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.774 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -82.25 149.09 28.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.437 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 16.8 p -71.89 167.47 19.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.278 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.0 t -53.49 -36.79 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.165 0.507 . . . . 0.0 110.144 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.77 -42.83 73.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.843 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.774 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 35.7 mt-10 -61.31 -45.81 92.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.512 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.681 ' CD ' HG23 ' A' ' 88' ' ' VAL . 8.0 mtm-85 -60.96 -41.94 97.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.423 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -57.72 -45.12 86.21 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.061 178.84 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.681 HG23 ' CD ' ' A' ' 60' ' ' ARG . 30.8 t . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.882 0.372 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 36.1 p -90.98 134.22 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.073 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.774 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 1.6 mp -114.07 146.41 40.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.998 0.427 . . . . 0.0 111.882 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.843 HD22 HD23 ' A' ' 50' ' ' LEU . 6.6 mt -134.18 154.47 51.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.392 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.544 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.1 mmtp -71.41 121.41 18.53 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.934 0.397 . . . . 0.0 110.946 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -49.16 -53.17 22.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.857 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.6 m -56.76 -34.1 67.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.588 ' OE2' HD12 ' A' ' 50' ' ' LEU . 6.0 mt-10 -68.64 -49.16 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 0.0 110.755 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.675 ' HA ' HD12 ' A' ' 99' ' ' ILE . 12.8 t -63.76 -40.23 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.248 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.1 -44.71 87.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.805 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.0 mm-40 -63.15 -48.05 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.627 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 50' ' ' LEU . 5.0 mt -61.13 -39.04 81.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 15.6 mt -67.32 -35.05 78.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.025 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -77.82 -12.51 59.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.31 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.39 3.55 53.52 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.695 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 22.9 t-20 -104.39 110.86 23.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.583 ' OD2' HG23 ' A' ' 99' ' ' ILE . 7.1 p-10 -169.62 19.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.327 -0.549 . . . . 0.0 112.457 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.75 -33.41 68.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.151 0.501 . . . . 0.0 109.983 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -74.31 -27.76 60.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.736 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.465 ' HB3' HD13 ' A' ' 50' ' ' LEU . 27.4 m-85 -81.92 -32.79 30.72 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.109 0.48 . . . . 0.0 110.524 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.622 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 12.1 mtpt -88.62 -7.58 56.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.258 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.28 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.682 0.277 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.5 Cg_exo -59.94 158.48 29.25 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.395 2.064 . . . . 0.0 112.15 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.808 HG22 ' HG3' ' A' ' 31' ' ' GLU . 17.4 m -72.85 116.99 15.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.639 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -108.75 159.45 16.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.749 179.276 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.756 ' CE1' HD23 ' A' ' 90' ' ' LEU . 26.0 p90 -156.8 166.03 34.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 0.0 111.38 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.93 127.84 49.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.58 179.691 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.752 HD11 HD22 ' A' ' 90' ' ' LEU . 7.9 mt -107.28 -27.12 10.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.028 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.7 143.92 48.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.37 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.25 -12.03 53.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.807 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -81.11 -0.44 40.08 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.28 26.02 8.51 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.239 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.62 116.95 22.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 110.492 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.45 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.5 m-85 -112.16 132.15 55.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.375 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 82.5 m-85 -122.99 166.67 14.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.494 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.413 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -132.2 147.81 52.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.465 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 15' ' ' VAL . 12.6 mt -78.26 122.07 32.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.013 0.435 . . . . 0.0 110.904 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.8 -26.22 39.49 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 115.903 -0.589 . . . . 0.0 113.026 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.426 ' H ' HG22 ' A' ' 28' ' ' ILE . 21.1 p -62.56 -42.96 99.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.242 0.544 . . . . 0.0 109.843 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.808 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.3 mm-40 -71.32 -41.45 69.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.091 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.915 ' O ' HD12 ' A' ' 36' ' ' LEU . 36.0 t -61.76 -40.9 88.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.387 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.88 -50.74 58.98 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.349 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.1 p30 -64.95 -32.95 74.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.131 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.494 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.4 t80 -61.62 -42.88 99.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.829 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mt -92.96 -3.91 53.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.969 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.78 30.86 4.67 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.842 0.353 . . . . 0.0 111.319 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.0 mtt -103.28 126.2 50.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.112 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.71 175.04 8.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.168 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 58.53 42.87 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.761 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.5 20.79 52.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -61.6 -33.96 74.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.654 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.2 tp -64.97 -51.98 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.798 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -64.8 -37.13 86.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -39.63 77.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.646 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -82.82 -12.94 57.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.079 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 73.1 m-85 -134.89 63.42 58.08 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.032 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 35.2 Cg_exo -62.34 -31.69 81.53 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.729 2.286 . . . . 0.0 112.757 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -77.34 -5.26 48.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.757 0.313 . . . . 0.0 111.326 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 99' ' ' ILE . 8.8 tp -74.47 134.09 42.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.221 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.599 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 67.9 t90 -70.01 115.06 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.664 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -139.56 138.14 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.721 0.295 . . . . 0.0 110.986 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -154.72 166.06 34.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.005 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.41 142.64 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.555 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 1.066 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -92.29 141.75 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.413 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.55 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.3 p -71.81 166.89 21.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.893 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.9 t -53.32 -39.07 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 110.525 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.77 -42.42 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.124 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 15.8 mt-10 -63.62 -40.7 97.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.814 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.567 ' CD ' HG23 ' A' ' 88' ' ' VAL . 11.1 mtm-85 -63.83 -46.17 86.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.599 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -57.92 -43.36 86.21 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.636 ' HE2' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 121.139 0.495 . . . . 0.0 110.024 178.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.567 HG23 ' CD ' ' A' ' 60' ' ' ARG . 55.3 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.848 0.356 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.2 p -91.04 117.7 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.066 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.0 mp -96.95 149.5 21.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.178 0.513 . . . . 0.0 111.565 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -138.57 149.66 45.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.924 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.599 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 6.8 mmtt -71.98 121.96 20.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.078 0.466 . . . . 0.0 110.918 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.07 -32.9 23.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 53.9 p -63.8 -42.63 97.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.517 ' HB3' HD12 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -67.89 -49.39 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.519 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.788 ' HA ' HD12 ' A' ' 99' ' ' ILE . 22.9 t -61.43 -46.59 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.656 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.21 -44.89 75.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.957 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.57 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 8.4 mm-40 -61.15 -48.03 83.46 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.998 0.428 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.2 mt -61.31 -39.14 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 16.1 mt -65.23 -35.75 82.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.955 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.95 -13.41 59.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.158 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.24 3.73 53.88 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.622 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 19.6 t-20 -104.3 111.33 23.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.492 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 6.8 p-10 -166.62 16.71 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.282 -0.567 . . . . 0.0 112.52 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -56.05 -37.71 69.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.877 0.37 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -26.63 64.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.814 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 20.0 m-85 -81.58 -30.54 32.96 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.331 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -85.47 -8.39 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.158 -179.538 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.151 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.134 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.421 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 31.8 Cg_exo -59.4 157.26 31.89 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.227 1.952 . . . . 0.0 111.681 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.876 HG22 ' HG3' ' A' ' 31' ' ' GLU . 11.4 m -72.58 115.68 13.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-O 121.443 0.639 . . . . 0.0 111.85 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -108.74 163.18 13.49 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.462 179.052 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.664 ' CE1' HD23 ' A' ' 90' ' ' LEU . 11.4 p90 -160.2 159.22 31.32 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.532 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 2.9 tt0 -102.38 127.09 49.53 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.215 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.875 HD11 HD22 ' A' ' 90' ' ' LEU . 15.5 mt -91.8 -20.93 20.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.936 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -131.22 143.56 50.67 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.064 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.37 -11.23 59.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.362 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -81.14 3.96 21.71 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.532 ' HA2' ' OE1' ' A' ' 18' ' ' GLN . . . 103.29 26.04 7.13 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 119.803 -1.189 . . . . 0.0 114.701 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 18' ' ' GLN . 4.3 mm-40 -96.64 115.48 27.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.791 0.796 . . . . 0.0 110.059 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CE1' ' OE1' ' A' ' 18' ' ' GLN . 9.5 m-85 -117.48 136.71 53.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.337 0.589 . . . . 0.0 112.369 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.508 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 81.0 m-85 -125.39 166.43 16.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.845 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.431 ' HE2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -130.96 148.17 52.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.433 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.685 HG13 HG23 ' A' ' 15' ' ' VAL . 5.3 mt -78.07 123.08 34.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.741 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.72 -28.37 46.23 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.123 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.0 t -61.4 -42.23 98.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.13 0.49 . . . . 0.0 109.855 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.876 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -71.76 -40.77 69.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.169 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.888 ' O ' HD12 ' A' ' 36' ' ' LEU . 38.9 t -61.85 -40.57 87.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.205 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.37 -50.7 58.11 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.356 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.9 p30 -65.31 -33.08 75.14 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.503 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -62.92 -42.78 99.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.056 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.888 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -93.75 -3.37 52.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 68.73 30.71 4.79 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.804 0.335 . . . . 0.0 111.57 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.87 126.21 50.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.005 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -126.59 175.08 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.111 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? 60.17 43.09 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 58.42 20.32 44.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.443 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.8 t -59.4 -33.77 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.011 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' A' ' 36' ' ' LEU . 4.1 tp -64.8 -52.11 58.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.627 ' HE2' HD11 ' A' ' 91' ' ' LEU . 26.7 m-85 -70.43 -34.71 72.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.132 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -73.06 -30.91 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -92.16 -14.25 29.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.288 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.494 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 91.6 m-85 -132.53 65.4 74.55 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-O 120.81 0.338 . . . . 0.0 111.043 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.22 -32.13 93.97 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.771 2.314 . . . . 0.0 112.916 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.18 -14.43 60.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.526 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 99' ' ' ILE . 3.6 tp -67.02 134.31 51.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 111.24 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.577 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.1 t90 -69.9 120.72 16.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.48 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -139.22 138.73 37.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 12.2 mtm180 -150.42 165.9 31.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.086 0.47 . . . . 0.0 111.619 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.72 151.6 19.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.422 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 1.072 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -100.11 127.64 46.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.043 0.449 . . . . 0.0 111.816 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.456 HG23 ' OE1' ' A' ' 59' ' ' GLU . 16.8 p -71.89 171.57 11.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.005 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.577 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 38.8 t -56.06 -39.07 56.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.222 0.534 . . . . 0.0 110.382 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.83 -42.46 73.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.146 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' OE1' HG23 ' A' ' 56' ' ' THR . 7.1 mt-10 -65.22 -40.82 94.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.18 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -66.75 -39.69 88.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.841 -179.61 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -63.81 -41.54 97.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.834 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 9.8 mtpt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.078 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.606 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 39.9 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.769 0.319 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.5 p -90.79 115.46 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.782 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.072 HD11 ' HB2' ' A' ' 55' ' ' ALA . 3.7 mp -96.95 144.87 26.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.036 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.627 HD11 ' HE2' ' A' ' 44' ' ' TYR . 3.6 mp -134.77 149.31 50.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.327 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.577 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 9.8 mmtt -69.07 121.93 17.7 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 110.933 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.33 -32.9 40.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.699 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -64.83 -41.4 95.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.984 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 3.4 mm-40 -66.23 -49.26 67.83 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.071 0.462 . . . . 0.0 110.219 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.592 ' HA ' HD12 ' A' ' 99' ' ' ILE . 22.2 t -62.49 -40.03 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.562 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.36 -45.34 88.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 3.3 mm-40 -62.4 -48.5 79.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.048 0.452 . . . . 0.0 110.628 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.903 HD11 HD11 ' A' ' 50' ' ' LEU . 4.4 mt -61.63 -39.19 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.2 mt -66.21 -35.79 81.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.924 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -13.24 59.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.197 179.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.14 3.77 54.16 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.63 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.493 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 6.6 t30 -104.21 110.96 23.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.496 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 17.4 p-10 -163.98 14.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -53.89 -42.71 68.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.898 0.38 . . . . 0.0 110.983 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -63.15 -30.43 71.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.615 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.5 m-85 -79.79 -45.38 18.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.348 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -67.42 -13.32 61.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.183 -179.572 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.225 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.56 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.2 Cg_exo -59.71 156.91 35.01 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.281 1.988 . . . . 0.0 111.947 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.815 HG22 ' HG3' ' A' ' 31' ' ' GLU . 20.6 m -72.77 119.37 19.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-O 121.236 0.541 . . . . 0.0 111.969 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.2 OUTLIER -113.03 154.24 26.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.735 179.087 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 19' ' ' LEU . 19.0 p90 -153.96 169.33 23.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.821 0.343 . . . . 0.0 111.255 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.445 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.62 127.92 49.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.927 HD11 ' CD2' ' A' ' 90' ' ' LEU . 50.2 mt -104.88 -30.71 9.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -119.02 143.96 46.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.081 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.63 -11.93 55.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.779 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -1.23 43.9 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.86 26.06 7.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.27 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -83.96 116.8 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 0.0 110.627 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.5 m-85 -112.09 133.77 54.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.989 0.423 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.622 ' CD2' HD12 ' A' ' 19' ' ' LEU . 76.0 m-85 -123.62 166.77 14.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.589 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.444 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.95 144.32 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.52 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.718 HD12 HG21 ' A' ' 15' ' ' VAL . 15.4 mt -75.25 119.96 23.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.025 0.441 . . . . 0.0 110.989 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.94 -28.43 48.17 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.917 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.453 ' H ' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -62.96 -41.22 99.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.471 . . . . 0.0 110.009 179.23 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.815 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -70.99 -41.05 71.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.907 ' O ' HD12 ' A' ' 36' ' ' LEU . 20.8 t -63.75 -40.88 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.407 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.81 -50.87 60.08 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.261 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.8 p30 -64.61 -33.05 75.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.025 0.44 . . . . 0.0 109.982 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.5 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -60.59 -42.9 97.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.753 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.907 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -95.19 -2.55 49.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.75 29.71 5.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.312 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.8 mmm -101.57 126.3 48.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.044 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.46 174.96 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 59.14 33.82 22.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.788 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.91 20.43 74.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -33.8 69.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.611 ' CD1' HD13 ' A' ' 36' ' ' LEU . 2.8 tp -64.92 -52.07 58.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' HE2' HD11 ' A' ' 91' ' ' LEU . 26.6 m-85 -68.77 -39.09 80.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.957 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -67.23 -31.08 71.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.77 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -91.96 -16.42 26.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.272 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.45 ' CE2' ' HG2' ' A' ' 108' ' ' LYS . 74.7 m-85 -131.63 67.94 80.39 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.995 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.19 -32.3 82.72 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.529 2.153 . . . . 0.0 112.806 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.444 ' CB ' ' HA ' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -72.35 -9.47 58.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.477 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.795 HD11 HD11 ' A' ' 99' ' ' ILE . 2.9 tp -75.67 136.45 40.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.828 0.347 . . . . 0.0 111.078 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.526 ' HB3' ' HG2' ' A' ' 92' ' ' LYS . 77.7 t90 -74.57 122.88 23.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.795 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ptt-85 -139.2 138.74 37.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 111.111 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 6.5 mtm-85 -150.55 166.08 31.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.155 0.502 . . . . 0.0 111.596 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.64 143.13 26.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.461 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 88' ' ' VAL . . . -76.48 126.71 31.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.817 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.5 p -75.54 171.3 14.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.028 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.4 t -55.59 -39.75 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.153 0.502 . . . . 0.0 110.643 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.55 -50.61 43.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.375 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.513 ' OE2' HD13 ' A' ' 19' ' ' LEU . 62.7 mt-10 -56.71 -39.95 74.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.925 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.758 ' NH1' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -60.58 -48.7 80.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.105 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -39.56 75.73 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 mttp . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.526 177.882 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.758 HG21 ' NH1' ' A' ' 60' ' ' ARG . 90.6 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.795 0.331 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.3 p -92.39 133.97 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.927 ' CD2' HD11 ' A' ' 19' ' ' LEU . 1.1 mp -115.69 144.92 43.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.562 HD21 HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.32 158.97 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.04 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.526 ' HG2' ' HB3' ' A' ' 51' ' ' TRP . 4.2 mmmm -76.56 122.42 24.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.736 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -51.32 -36.19 41.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.0 m -64.96 -38.48 91.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.453 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -68.06 -49.34 61.94 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.682 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 99' ' ' ILE . 16.9 t -63.21 -47.95 89.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.636 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -43.68 73.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.713 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -61.08 -48.52 81.32 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 111.078 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 50' ' ' LEU . 5.8 mt -61.6 -39.4 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.065 0.46 . . . . 0.0 109.765 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 29.7 mt -67.72 -33.27 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.092 178.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.87 -14.0 59.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.045 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.49 3.58 53.18 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.621 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.474 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 16.0 t-20 -104.51 110.9 23.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.486 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 8.4 p-10 -167.69 16.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -58.67 -38.5 78.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -71.01 -21.43 62.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.4 m-85 -84.77 -44.52 13.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.852 0.358 . . . . 0.0 111.56 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -64.84 -21.59 66.82 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.62 -178.753 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.936 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 4.7 tptt . . . . . 0 CA--C 1.527 0.085 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.9 Cg_exo -59.8 155.32 44.11 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.412 2.075 . . . . 0.0 111.924 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.802 HG22 ' HG3' ' A' ' 31' ' ' GLU . 13.3 m -72.84 117.35 16.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 CA-C-O 121.319 0.581 . . . . 0.0 111.622 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -112.5 149.92 31.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.098 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.721 ' CE2' HD23 ' A' ' 90' ' ' LEU . 15.8 p90 -149.31 168.56 23.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 111.223 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -102.92 127.96 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.368 179.584 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.579 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.2 mt -108.17 -20.52 13.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.538 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 4.4 mm-40 -128.01 143.86 51.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.025 0.44 . . . . 0.0 111.251 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -65.06 -11.99 45.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.92 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -1.15 42.61 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.87 24.65 10.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.361 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -83.75 116.73 22.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 0.0 110.502 179.675 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.462 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.4 m-85 -110.47 130.84 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.287 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CD1' ' CZ3' ' A' ' 51' ' ' TRP . 79.7 m-85 -121.75 166.63 14.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.512 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.481 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -130.86 149.77 52.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.502 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.739 HD12 HG21 ' A' ' 15' ' ' VAL . 17.7 mt -77.19 122.09 31.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.924 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.74 -36.88 60.27 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.911 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.506 ' OG ' HG22 ' A' ' 28' ' ' ILE . 4.4 p -57.19 -38.77 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.12 0.486 . . . . 0.0 110.08 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.802 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.3 mm-40 -70.67 -41.72 71.71 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.094 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.902 ' O ' HD12 ' A' ' 36' ' ' LEU . 31.5 t -62.6 -40.6 88.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.616 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.33 -50.61 58.73 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.568 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 25.8 p30 -65.46 -32.99 74.9 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.249 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.0 t80 -63.12 -42.81 99.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.945 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.902 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -93.38 -3.13 53.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.124 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.63 29.96 5.22 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.622 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.4 mtt -101.16 126.07 47.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -126.81 175.1 8.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 56.73 42.78 26.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.82 19.48 55.68 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -60.25 -33.88 72.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 36' ' ' LEU . 2.0 tp -64.95 -52.08 58.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.733 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.16 -39.0 86.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.77 -40.31 91.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.693 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -83.62 -15.91 47.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 108' ' ' LYS . 89.0 m-85 -134.31 65.56 68.64 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -62.36 -32.32 81.31 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.647 2.231 . . . . 0.0 112.72 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' A' ' 107' ' ' TYR . 3.1 t -72.51 -10.07 59.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.686 0.279 . . . . 0.0 111.22 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.68 HD11 HD11 ' A' ' 99' ' ' ILE . 6.3 tp -69.55 128.52 36.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.579 ' CD2' ' HD2' ' A' ' 92' ' ' LYS . 73.3 t90 -69.91 118.91 13.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.646 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.36 143.54 37.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.764 0.316 . . . . 0.0 111.188 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -154.1 166.17 33.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.088 179.661 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.18 153.07 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.839 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -106.83 140.73 39.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.039 0.447 . . . . 0.0 111.776 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.3 p -77.66 171.53 14.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.148 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 36.0 t -60.25 -37.07 72.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.988 0.423 . . . . 0.0 110.686 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.39 -51.17 31.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.01 -46.71 89.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 9.9 ptp180 -60.77 -41.61 95.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -57.93 -43.37 86.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.4 mttt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.17 178.675 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.694 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 23.2 t . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.797 0.332 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 66.2 p -90.91 119.17 30.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.839 HD11 ' HB2' ' A' ' 55' ' ' ALA . 1.9 mp -96.75 144.88 26.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.978 0.418 . . . . 0.0 111.385 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.21 151.53 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.498 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.579 ' HD2' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -69.77 121.6 17.56 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.347 0.594 . . . . 0.0 111.323 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.66 -42.38 56.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.694 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -56.85 -40.25 75.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.048 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.452 ' HG2' ' CE1' ' A' ' 107' ' ' TYR . 15.0 mt-10 -68.22 -49.32 61.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.984 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.575 ' HA ' HD12 ' A' ' 99' ' ' ILE . 10.9 t -60.95 -50.21 81.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.84 -42.14 71.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.63 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.1 OUTLIER -60.91 -48.8 80.17 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.064 0.459 . . . . 0.0 111.038 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.68 HD11 HD11 ' A' ' 50' ' ' LEU . 4.1 mt -62.4 -39.23 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.082 0.468 . . . . 0.0 109.8 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 20.1 mt -66.75 -34.63 78.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.122 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.74 -14.35 59.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.062 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.56 3.61 52.95 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.533 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.469 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 15.5 t-20 -104.22 110.78 23.12 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.498 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 12.2 p-10 -164.36 13.82 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -39.11 65.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -30.06 70.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.644 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.452 ' CE1' ' HG2' ' A' ' 95' ' ' GLU . 24.3 m-85 -80.28 -43.84 20.62 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.322 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -68.44 -11.16 59.31 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.342 -179.329 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.514 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 4.4 tppp? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.726 0.298 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.437 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 31.1 Cg_exo -60.36 162.3 17.8 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.429 2.086 . . . . 0.0 111.906 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.795 HG13 ' CD ' ' A' ' 31' ' ' GLU . 16.2 m -72.9 117.23 16.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 121.331 0.586 . . . . 0.0 112.055 -178.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.482 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.25 153.24 28.71 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.457 179.129 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.578 ' HE1' HD21 ' A' ' 90' ' ' LEU . 22.2 p90 -155.14 169.09 24.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 111.736 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -104.6 127.98 52.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.41 179.566 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.6 mt -108.79 -25.1 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.434 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.19 143.81 47.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 111.181 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.89 -12.11 58.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.659 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.22 -3.28 51.85 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.0 24.11 8.22 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.397 -0.906 . . . . 0.0 113.135 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -80.94 116.78 21.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.4 m-85 -111.36 128.86 56.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.619 ' CB ' HD23 ' A' ' 90' ' ' LEU . 89.7 m-85 -121.39 166.84 13.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.583 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.482 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 4.9 mtm -135.84 149.27 48.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.745 HD12 HG21 ' A' ' 15' ' ' VAL . 12.0 mt -79.25 118.15 26.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 121.119 0.485 . . . . 0.0 111.049 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.87 -24.75 34.97 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.748 -0.66 . . . . 0.0 113.044 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.427 ' H ' HG22 ' A' ' 28' ' ' ILE . 6.0 t -64.15 -43.32 95.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.172 0.51 . . . . 0.0 109.701 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.795 ' CD ' HG13 ' A' ' 15' ' ' VAL . 1.9 mm-40 -70.49 -39.62 74.08 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.948 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.914 ' O ' HD12 ' A' ' 36' ' ' LEU . 39.6 t -63.87 -40.68 89.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.261 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.96 -50.7 61.35 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.234 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.2 p30 -64.48 -33.0 74.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.072 0.463 . . . . 0.0 110.032 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.2 t80 -60.89 -42.78 98.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.85 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.66 -2.75 50.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.988 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.58 30.11 5.25 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.742 0.306 . . . . 0.0 111.407 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.0 126.32 47.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.068 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -126.53 175.02 8.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.123 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 59.41 37.49 23.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.747 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.56 20.59 63.87 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -57.96 -33.97 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.411 ' CD1' HD13 ' A' ' 36' ' ' LEU . 4.2 tp -64.91 -51.08 63.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.513 ' HE2' HD11 ' A' ' 91' ' ' LEU . 23.0 m-85 -69.31 -39.0 78.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.032 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -28.92 65.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -90.34 -24.67 20.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.596 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.8 m-85 -119.43 71.7 13.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.111 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.45 -28.66 78.2 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.866 2.377 . . . . 0.0 112.97 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.421 ' CB ' ' HA ' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -85.42 6.42 26.76 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.677 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.596 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 6.2 tp -87.28 130.86 34.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 111.277 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.65 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 68.4 t90 -69.9 119.55 14.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -139.5 138.79 36.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.111 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.65 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -152.28 160.66 43.31 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 111.487 179.334 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.435 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -94.02 131.77 39.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.81 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -80.91 146.74 30.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.011 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.619 HG23 ' OE1' ' A' ' 59' ' ' GLU . 6.8 p -83.01 171.5 13.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.522 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 24.9 t -54.02 -48.48 64.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.19 0.519 . . . . 0.0 110.249 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.83 -40.42 95.25 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.619 ' OE1' HG23 ' A' ' 56' ' ' THR . 34.3 mt-10 -60.92 -46.08 92.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.078 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -60.99 -38.5 86.25 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.541 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.535 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 26.8 mttt -58.82 -49.5 77.49 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.5 179.062 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.639 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 18.5 t . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.861 0.362 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 p -92.4 116.2 28.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.2 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.81 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -96.77 144.75 26.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.29 -179.379 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 90' ' ' LEU . 10.3 mp -135.75 157.0 47.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.399 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.519 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 8.8 mmtt -76.6 121.7 23.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.935 0.398 . . . . 0.0 110.672 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.34 -44.19 54.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.504 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 55.0 p -59.02 -37.88 77.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.454 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -68.05 -49.25 62.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.526 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.678 ' HA ' HD12 ' A' ' 99' ' ' ILE . 22.0 t -63.11 -39.26 84.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.489 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.14 -46.04 89.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.675 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 13.9 mm-40 -61.72 -48.01 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.082 0.467 . . . . 0.0 110.719 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 96' ' ' VAL . 4.6 mt -61.23 -39.24 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.8 mt -65.24 -35.94 82.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.856 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.88 -13.06 60.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.281 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.32 3.78 53.61 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.7 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 9.0 t30 -104.33 111.12 23.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.1 p-10 -167.7 17.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.46 -34.04 68.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.362 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -25.3 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 26.4 m-85 -82.06 -31.92 30.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.47 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -80.81 -19.8 43.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.436 -178.892 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.222 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.055 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.3 tppp? . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.759 0.314 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.8 Cg_exo -59.74 158.03 30.24 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.386 2.057 . . . . 0.0 112.097 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.787 HG22 ' HG3' ' A' ' 31' ' ' GLU . 15.2 m -72.95 116.98 15.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.279 0.562 . . . . 0.0 111.635 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -111.33 149.68 30.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.855 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.712 ' CE1' HD23 ' A' ' 90' ' ' LEU . 22.8 p90 -148.05 167.62 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 111.434 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.422 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.89 127.93 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 179.646 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 90' ' ' LEU . 4.7 mt -108.74 -27.11 9.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.266 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -118.76 143.82 46.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.978 0.418 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.73 -12.24 57.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.691 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.29 -1.93 47.03 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.89 25.21 8.13 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.447 -0.882 . . . . 0.0 113.078 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -80.47 116.79 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 110.619 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 7.5 m-85 -111.54 133.91 53.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.508 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 82.6 m-85 -126.18 166.56 16.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.569 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.483 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -132.2 146.28 51.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.504 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.723 HD12 HG21 ' A' ' 15' ' ' VAL . 14.5 mt -76.12 122.72 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.885 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.461 ' H ' HG23 ' A' ' 89' ' ' THR . . . -54.66 -29.4 48.87 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.081 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.3 p -61.6 -41.43 97.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.045 0.45 . . . . 0.0 109.975 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.787 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -71.07 -42.37 69.49 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.235 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.923 ' O ' HD12 ' A' ' 36' ' ' LEU . 23.8 t -62.1 -40.81 88.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.496 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.68 -50.73 59.48 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.3 p30 -65.43 -32.95 74.84 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.201 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.492 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -61.56 -42.89 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.781 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.923 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -93.43 -3.83 52.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.93 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.7 30.8 4.81 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.39 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.7 mmm -101.7 126.04 48.48 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -126.61 174.96 8.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 56.9 43.33 25.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.57 19.18 53.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.462 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.9 t -60.11 -33.7 72.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.771 0.319 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 36' ' ' LEU . 1.8 tp -64.89 -51.63 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.428 ' CE2' ' HD2' ' A' ' 52' ' ' ARG . 27.8 m-85 -69.21 -36.65 77.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -34.1 77.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.311 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -92.05 -14.28 29.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.138 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 92.3 m-85 -134.99 59.91 37.25 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 28.0 Cg_exo -62.44 -30.15 79.85 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.387 2.058 . . . . 0.0 112.423 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.9 t -72.14 -15.65 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.244 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.812 HD11 HD11 ' A' ' 99' ' ' ILE . 4.0 tp -67.36 135.84 53.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 111.137 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 70.5 t90 -71.27 119.53 15.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.428 ' HD2' ' CE2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -139.67 138.69 36.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.735 179.492 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.629 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.16 160.13 41.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 111.415 179.544 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.407 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -95.15 130.94 41.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.112 -179.718 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 1.063 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -83.52 145.63 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.568 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.61 HG23 ' OE1' ' A' ' 59' ' ' GLU . 13.9 p -72.15 171.63 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.241 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 23.7 t -59.63 -37.29 69.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.998 0.428 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -70.21 -50.87 35.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.35 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.61 ' OE1' HG23 ' A' ' 56' ' ' THR . 10.1 mt-10 -60.17 -46.74 88.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.013 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 9.4 ptp180 -60.71 -41.89 96.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.466 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -42.06 84.8 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.13 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.43 HG21 ' HB2' ' A' ' 60' ' ' ARG . 47.3 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 29' ' ' GLY . 3.1 t -95.04 115.31 27.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.545 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.063 HD11 ' HB2' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -96.93 147.9 23.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.003 0.43 . . . . 0.0 111.424 -179.576 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 90' ' ' LEU . 6.4 mp -132.86 157.5 44.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.286 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.551 ' HG2' ' HB3' ' A' ' 51' ' ' TRP . 14.1 mmtm -71.29 122.09 19.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -52.91 -38.34 61.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.973 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 20.9 t -65.05 -35.33 80.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.512 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -67.46 -49.82 61.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.979 0.419 . . . . 0.0 110.498 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.698 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.1 t -64.32 -38.54 82.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.566 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.97 90.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.738 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 2.4 mm-40 -62.47 -48.38 79.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 0.0 110.632 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.812 HD11 HD11 ' A' ' 50' ' ' LEU . 3.5 mt -61.54 -39.34 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.7 mt -66.46 -35.56 80.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.952 178.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -77.81 -13.29 59.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.27 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.18 3.7 54.08 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.623 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 42.7 t30 -104.36 111.05 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 14.3 p-10 -164.87 15.19 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -54.02 -40.44 67.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.949 0.404 . . . . 0.0 111.068 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -65.91 -30.25 70.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.663 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.458 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 21.2 m-85 -79.31 -39.03 33.85 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -75.88 -5.99 48.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.107 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.481 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HG3' ' HD2' ' A' ' 14' ' ' PRO . 3.4 tppp? . . . . . 0 C--O 1.232 0.151 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.404 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 32.1 Cg_exo -59.73 159.32 24.95 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.47 2.114 . . . . 0.0 112.141 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.789 HG22 ' HG3' ' A' ' 31' ' ' GLU . 18.4 m -72.89 117.99 17.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.153 0.502 . . . . 0.0 111.611 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.92 150.81 33.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.098 179.522 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -150.11 169.25 21.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 0.0 111.167 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.83 127.95 49.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.724 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.828 HD11 ' CD2' ' A' ' 90' ' ' LEU . 18.1 mt -106.05 -30.93 8.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.06 143.85 45.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 111.054 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -66.68 -12.16 57.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.709 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.17 -0.01 38.46 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.11 24.93 8.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.398 -0.906 . . . . 0.0 113.107 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -81.92 116.87 21.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.726 0.298 . . . . 0.0 110.547 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.436 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.8 m-85 -112.53 130.96 55.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.966 0.412 . . . . 0.0 111.22 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 89.5 m-85 -123.67 166.52 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.724 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.505 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.52 148.88 52.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.606 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.756 HD12 HG21 ' A' ' 15' ' ' VAL . 19.8 mt -76.98 121.69 29.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.778 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.67 -29.41 48.96 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.196 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.436 ' H ' HG22 ' A' ' 28' ' ' ILE . 45.1 t -62.1 -41.28 98.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.075 0.464 . . . . 0.0 110.034 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.789 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -71.1 -41.86 70.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.173 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.918 ' O ' HD12 ' A' ' 36' ' ' LEU . 14.6 t -62.68 -40.87 90.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.438 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.05 -50.74 60.85 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.299 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 23.5 p30 -65.15 -33.07 75.13 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.118 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.49 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.6 t80 -60.62 -43.01 97.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.889 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.918 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.1 -3.78 50.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.955 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 68.56 31.18 4.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.1 mtt -102.14 126.16 49.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.12 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -126.53 174.73 8.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.177 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 55.99 37.74 29.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.6 22.06 76.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -34.05 75.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.329 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.683 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.7 tp -64.95 -52.2 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -68.02 -38.62 82.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.786 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -66.32 -30.62 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.982 0.42 . . . . 0.0 110.225 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 108' ' ' LYS . 4.7 tpm_? -91.93 -13.65 30.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.032 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.622 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 60.4 m-85 -134.14 63.82 63.22 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 36.0 Cg_exo -60.45 -32.1 93.36 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.777 2.318 . . . . 0.0 113.495 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.17 8.23 18.98 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.79 HD11 HD11 ' A' ' 99' ' ' ILE . 5.2 tp -84.27 139.93 32.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.234 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.608 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.1 t90 -70.33 116.11 10.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -139.57 138.61 36.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.515 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.576 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.11 152.13 30.08 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.504 179.664 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.83 153.08 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.688 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.649 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -93.54 127.02 39.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.613 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' OE1' ' A' ' 59' ' ' GLU . 11.9 p -72.01 171.45 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.042 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.477 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 34.6 t -58.4 -38.12 67.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.964 0.412 . . . . 0.0 110.545 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.17 -45.41 66.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.137 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.542 ' OE1' HG23 ' A' ' 56' ' ' THR . 4.1 mt-10 -61.91 -46.48 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.844 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 3.2 ptt180 -60.78 -42.42 97.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.294 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 1.6 mtpm? -57.77 -41.43 81.97 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mttt . . . . . 0 N--CA 1.452 -0.349 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.639 178.17 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.49 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 28.0 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.739 0.304 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.4 p -90.86 131.85 36.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.907 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.828 ' CD2' HD11 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -113.31 145.0 41.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.396 -179.703 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.577 HD12 ' C ' ' A' ' 90' ' ' LEU . 7.6 mp -134.86 152.73 51.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.586 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.608 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 3.8 mmmp? -76.21 122.4 24.3 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.938 0.399 . . . . 0.0 111.019 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.4 -34.28 23.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.361 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 m -62.53 -42.74 99.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.689 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.453 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 2.4 mm-40 -66.7 -49.34 66.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 99' ' ' ILE . 16.8 t -61.81 -49.56 83.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.076 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.44 -44.06 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.786 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -61.24 -48.44 81.47 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.052 0.453 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.79 HD11 HD11 ' A' ' 50' ' ' LEU . 4.9 mt -61.8 -39.4 83.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 21.7 mt -67.24 -33.54 75.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.872 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -77.78 -13.84 59.77 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.143 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.57 3.91 52.78 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.626 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.484 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 17.4 t-20 -104.04 111.21 23.68 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.77 ' OD2' HG23 ' A' ' 99' ' ' ILE . 3.4 p30 -168.28 20.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.577 ' HA ' ' HE2' ' A' ' 108' ' ' LYS . 2.6 mt-10 -51.67 -47.81 63.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.355 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -9.96 59.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.658 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.3 m-85 -85.84 -46.41 10.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.589 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.25 -6.52 59.28 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.151 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.522 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 12.6 tppt? . . . . . 0 C--O 1.231 0.102 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.504 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 39.1 Cg_exo -60.94 156.17 45.58 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.493 2.129 . . . . 0.0 112.082 -179.083 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.899 HG22 ' HG3' ' A' ' 31' ' ' GLU . 18.6 m -72.86 117.25 16.18 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.187 0.518 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -109.36 158.82 17.53 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.065 179.776 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.721 ' HE1' HD21 ' A' ' 90' ' ' LEU . 17.8 p90 -159.58 168.28 26.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.923 0.392 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.478 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.88 127.98 49.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.227 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.506 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.1 mt -109.03 -21.34 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.387 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -126.4 143.87 51.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.008 0.432 . . . . 0.0 111.115 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.29 -12.02 26.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.007 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.12 2.17 28.59 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.12 11.72 53.86 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 120.424 -0.893 . . . . 0.0 113.228 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.1 tt0 -70.11 116.56 10.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.449 . . . . 0.0 110.66 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -109.77 130.71 55.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.312 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.702 ' HB3' HD23 ' A' ' 90' ' ' LEU . 82.4 m-85 -121.47 166.46 14.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.688 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.521 ' HE2' ' HB ' ' A' ' 96' ' ' VAL . 1.4 mtm -133.07 153.43 51.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.238 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.679 HG13 HG23 ' A' ' 15' ' ' VAL . 12.3 mt -80.4 122.36 35.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.315 0.578 . . . . 0.0 111.258 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.68 -35.25 57.19 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.596 -0.729 . . . . 0.0 113.019 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -58.44 -39.85 80.95 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.234 0.54 . . . . 0.0 109.812 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.899 ' HG3' HG22 ' A' ' 15' ' ' VAL . 4.0 mm-40 -66.99 -42.73 84.54 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.66 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.858 ' O ' HD12 ' A' ' 36' ' ' LEU . 29.9 t -62.43 -40.69 89.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.267 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.78 -50.7 64.68 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.029 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 16.7 p30 -62.73 -32.62 73.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 109.753 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.854 ' CE1' HD22 ' A' ' 100' ' ' LEU . 5.0 t80 -59.64 -42.58 93.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.301 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.858 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -102.18 2.62 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.265 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 68.43 28.45 6.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.396 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.6 mtt -100.99 126.01 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.185 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -126.85 175.01 8.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 56.31 36.56 27.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.005 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.68 20.91 79.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.574 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -60.08 -33.86 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.5 tp -64.92 -51.83 59.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.558 ' HE2' HD11 ' A' ' 91' ' ' LEU . 27.7 m-85 -65.66 -35.59 81.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.01 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.83 -33.81 74.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -92.05 -11.65 35.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.301 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.587 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 64.3 m-85 -134.07 65.22 68.83 Favored Pre-proline 0 CA--C 1.531 0.226 0 CA-C-O 120.769 0.319 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -62.35 -27.26 77.53 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.78 2.32 . . . . 0.0 112.898 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.9 t -86.88 7.99 24.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.644 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.587 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.2 tp -87.38 137.3 32.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.062 0.458 . . . . 0.0 111.438 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CH2' ' CE2' ' A' ' 26' ' ' TYR . 73.0 t90 -69.83 115.89 9.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.543 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 138.59 36.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.847 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.44 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 16.1 ptt180 -154.11 156.81 37.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 111.368 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.14 130.84 36.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.277 179.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.923 ' HB2' HD12 ' A' ' 90' ' ' LEU . . . -79.94 143.14 34.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.492 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 4.8 p -71.86 167.69 19.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.319 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.0 t -53.46 -48.13 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.973 0.416 . . . . 0.0 110.444 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.52 -39.43 93.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.031 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.518 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 12.3 mt-10 -62.85 -42.46 99.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.827 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.545 ' CD ' HG23 ' A' ' 88' ' ' VAL . 7.9 mtm-85 -62.41 -41.92 99.04 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.794 0.331 . . . . 0.0 110.158 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -45.72 86.02 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 mttt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.904 178.752 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.545 HG23 ' CD ' ' A' ' 60' ' ' ARG . 36.9 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.912 0.386 . . . . 0.0 111.276 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.93 119.54 31.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.591 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.923 HD12 ' HB2' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -98.81 144.41 28.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.304 -179.556 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 90' ' ' LEU . 5.2 mp -140.86 156.91 46.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.708 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.503 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 6.2 mmtt -75.06 121.51 22.12 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.015 0.436 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.55 -52.85 27.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.716 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.52 -33.77 64.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.373 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.489 ' HB3' HD11 ' A' ' 50' ' ' LEU . 91.8 mt-10 -68.1 -49.29 62.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.785 0.326 . . . . 0.0 111.007 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.535 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.2 t -61.18 -49.92 82.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.024 0.44 . . . . 0.0 110.314 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -54.83 -39.2 68.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.954 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.575 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 8.1 mm-40 -64.09 -48.82 74.68 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.163 0.506 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.75 HG23 ' OD1' ' A' ' 104' ' ' ASP . 3.4 mt -62.96 -39.43 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.879 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.854 HD22 ' CE1' ' A' ' 35' ' ' TYR . 32.2 mt -67.47 -32.7 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.799 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -77.92 -14.57 59.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.21 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.67 4.05 52.39 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.627 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.575 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 10.7 t-20 -103.95 111.56 24.15 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.75 ' OD1' HG23 ' A' ' 99' ' ' ILE . 3.6 p30 -169.22 19.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.281 -0.567 . . . . 0.0 112.374 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.58 ' HA ' ' HE2' ' A' ' 108' ' ' LYS . 43.3 mt-10 -51.72 -45.19 63.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -74.83 -19.28 60.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.625 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 20.8 m-85 -76.17 -46.14 29.99 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.58 ' HE2' ' HA ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -85.65 -9.52 57.12 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.254 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.452 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.116 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 25.9 Cg_exo -63.91 159.74 40.66 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.646 2.23 . . . . 0.0 112.285 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.858 HG22 ' HG3' ' A' ' 31' ' ' GLU . 17.2 m -72.66 116.16 14.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.356 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.98 159.79 16.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.49 -179.62 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -159.83 167.07 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.998 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.93 127.97 49.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.477 179.664 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.694 HD12 HD21 ' A' ' 90' ' ' LEU . 4.5 mt -108.71 -25.42 10.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.56 143.8 48.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.952 0.406 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.55 -12.17 56.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.652 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.36 0.02 39.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.95 26.02 9.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.501 -0.856 . . . . 0.0 113.09 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -82.48 116.68 22.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.774 0.321 . . . . 0.0 110.649 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 7.3 m-85 -110.83 130.96 55.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 89.7 m-85 -123.1 166.51 15.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.716 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.436 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -132.5 149.47 52.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.33 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.678 HD12 HG21 ' A' ' 15' ' ' VAL . 13.3 mt -77.91 123.87 35.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.35 0.595 . . . . 0.0 111.368 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.79 -35.99 59.0 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.981 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.528 ' OG ' HG22 ' A' ' 28' ' ' ILE . 1.3 p -57.91 -39.06 77.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.105 0.478 . . . . 0.0 109.91 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.858 ' HG3' HG22 ' A' ' 15' ' ' VAL . 4.0 mm-40 -68.27 -45.03 74.24 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.896 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 36' ' ' LEU . 35.9 t -60.1 -40.57 83.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.029 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.59 -50.17 69.78 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.804 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.477 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 17.4 p30 -61.68 -32.94 73.15 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.173 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.643 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -59.59 -43.94 93.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.633 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.794 HD13 ' CD1' ' A' ' 43' ' ' LEU . 2.2 mp -98.58 1.26 46.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.618 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.58 26.0 8.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.244 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.409 ' HE3' ' HA ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -100.9 126.19 47.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.399 179.526 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -126.87 174.32 8.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.7 44.67 25.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.048 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.49 19.73 69.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.571 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -66.07 -34.01 77.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.83 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.794 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.8 tp -64.97 -52.04 58.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.41 ' CE1' ' HG2' ' A' ' 52' ' ' ARG . 14.7 m-85 -63.43 -34.24 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -65.79 -39.05 90.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.525 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -83.34 -17.01 43.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 83.2 m-85 -134.05 64.24 65.33 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 36.3 Cg_exo -62.25 -29.18 79.88 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.739 2.292 . . . . 0.0 113.097 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.431 ' HB3' ' HA ' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -76.21 -10.49 59.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.757 0.313 . . . . 0.0 111.218 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' ' 95' ' ' GLU . 7.7 tp -70.0 135.36 49.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.361 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.802 ' O ' HD13 ' A' ' 91' ' ' LEU . 80.7 t90 -69.77 117.82 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.897 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG2' ' CE1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -132.99 138.21 46.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.677 0.275 . . . . 0.0 110.554 179.374 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.47 143.61 21.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 111.392 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.63 134.37 34.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.462 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.798 ' HB2' HD13 ' A' ' 90' ' ' LEU . . . -89.77 148.02 23.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.432 . . . . 0.0 111.635 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.603 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.7 p -71.95 164.09 26.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.257 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.449 ' HA ' ' HD2' ' A' ' 60' ' ' ARG . 21.6 t -53.29 -34.64 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.148 0.499 . . . . 0.0 110.632 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.18 -51.2 33.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.35 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.65 -41.5 86.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.541 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 56' ' ' THR . 7.9 mtt180 -61.62 -42.42 98.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.174 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -57.85 -43.46 85.92 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.176 178.699 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.85 0.357 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 p -92.1 131.36 37.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.58 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -104.53 144.2 32.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.969 0.414 . . . . 0.0 111.494 -179.63 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 51' ' ' TRP . 4.5 mm? -135.95 152.67 51.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.133 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.532 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 8.9 mmmm -76.15 121.8 23.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.662 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -48.87 -48.33 42.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.855 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.467 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 1.5 p -56.5 -37.45 70.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.297 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.591 ' HB3' HD11 ' A' ' 50' ' ' LEU . 5.1 mt-10 -68.05 -49.43 61.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 111.034 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.765 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.8 t -61.15 -47.12 94.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.441 . . . . 0.0 110.47 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.94 -43.48 73.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.958 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.646 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 37.2 mm-40 -61.54 -48.52 80.62 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.048 0.451 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 96' ' ' VAL . 2.6 mt -61.9 -39.69 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.643 HD22 ' CZ ' ' A' ' 35' ' ' TYR . 19.6 mt -66.86 -33.38 75.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.007 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.57 -14.86 59.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.037 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.35 3.58 53.61 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.631 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.646 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 5.5 t30 -104.44 111.53 24.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 6.5 p-10 -165.81 15.55 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.093 -0.643 . . . . 0.0 112.724 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.61 -36.51 64.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.742 0.306 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -29.61 65.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.473 ' CE1' ' HG2' ' A' ' 95' ' ' GLU . 22.8 m-85 -78.32 -29.58 47.75 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -87.99 -5.72 58.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.058 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.207 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.858 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 32.7 Cg_exo -60.09 162.25 17.16 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.316 2.011 . . . . 0.0 111.825 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.9 HG13 ' OE1' ' A' ' 31' ' ' GLU . 19.8 m -74.64 121.67 26.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 121.337 0.589 . . . . 0.0 112.168 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -114.47 153.59 29.69 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.666 179.037 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -153.48 169.19 23.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.979 0.419 . . . . 0.0 111.309 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.459 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.95 128.54 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.457 179.649 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 19' ' ' LEU . 4.7 mt -108.59 -21.25 12.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.428 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 8.2 mm-40 -128.22 143.99 51.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.983 0.42 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.87 -11.99 43.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.834 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -80.99 0.14 36.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.26 21.3 17.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.311 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 2.3 mt-10 -79.81 116.87 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.525 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.459 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -110.86 130.57 55.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.01 0.433 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.498 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 75.5 m-85 -121.16 166.8 13.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.509 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.467 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 5.1 mtm -132.69 151.14 52.05 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.448 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.662 HD12 HG21 ' A' ' 15' ' ' VAL . 12.1 mt -79.0 118.8 27.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.74 -31.44 53.77 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.058 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -60.94 -40.86 94.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.208 0.528 . . . . 0.0 109.904 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.9 ' OE1' HG13 ' A' ' 15' ' ' VAL . 2.6 mm-40 -70.49 -39.23 74.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.96 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.926 ' O ' HD12 ' A' ' 36' ' ' LEU . 23.7 t -64.25 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.289 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.98 -50.77 60.75 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.247 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 23.7 p30 -64.33 -33.04 74.93 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.097 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.5 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -61.4 -42.82 99.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.891 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.926 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.2 -2.72 52.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.027 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 68.57 30.56 5.09 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.484 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.1 mtt -100.98 126.09 47.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.202 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -126.63 175.07 8.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.138 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 57.42 37.8 28.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.46 22.83 68.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.52 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.6 t -61.62 -33.99 74.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.828 0.347 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 tp -64.99 -52.14 57.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.757 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.457 ' HE2' HD11 ' A' ' 91' ' ' LEU . 23.0 m-85 -66.13 -38.91 89.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -68.0 -35.69 78.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -88.02 -13.53 41.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.339 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.528 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 82.2 m-85 -133.81 66.28 72.49 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.79 0.328 . . . . 0.0 111.016 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.13 -30.27 75.08 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.758 2.305 . . . . 0.0 112.746 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -77.71 -3.92 43.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.594 0.235 . . . . 0.0 111.228 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 99' ' ' ILE . 7.0 tp -77.54 139.8 39.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 111.239 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 71.0 t90 -77.14 116.3 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.589 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 4.8 ppt_? -139.25 139.01 37.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.497 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -151.78 166.16 32.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.938 0.399 . . . . 0.0 111.354 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.13 153.03 20.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.432 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 88' ' ' VAL . . . -105.95 131.13 53.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.012 0.434 . . . . 0.0 111.8 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.2 p -72.11 171.53 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.244 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.589 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 20.2 t -59.62 -34.22 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.101 0.476 . . . . 0.0 110.274 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -70.49 -47.3 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.051 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.52 -45.05 92.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.234 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.4 OUTLIER -62.17 -43.57 98.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.759 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -60.23 -41.19 92.6 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.1 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.489 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 40.1 mttt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.023 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.653 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 38.4 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.843 0.354 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -90.78 128.47 36.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.428 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.741 ' O ' HD12 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -106.54 144.67 32.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 111.477 -179.505 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 90' ' ' LEU . 5.0 mp -139.42 156.31 47.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.572 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.53 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 7.1 mmtt -78.38 121.17 24.14 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.33 -42.84 53.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.657 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -39.05 89.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.012 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.457 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 6.8 mt-10 -68.66 -49.34 59.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.697 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.741 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.2 t -60.51 -47.59 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.134 0.493 . . . . 0.0 110.047 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.45 -40.84 72.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.78 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.638 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.5 mm-40 -61.61 -48.75 79.51 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.197 0.522 . . . . 0.0 110.461 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.0 mt -61.95 -39.22 82.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.797 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 21.6 mt -66.34 -33.96 76.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.055 178.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -77.8 -14.65 59.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.954 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.47 3.87 53.11 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.584 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.638 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 31.0 t30 -104.3 111.3 23.87 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.504 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 13.4 p-10 -166.11 16.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.12 -39.03 68.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.947 0.403 . . . . 0.0 111.045 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -70.17 -26.82 64.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.1 m-85 -81.4 -40.0 24.12 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.674 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -70.1 -22.67 63.01 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.622 -179.226 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.02 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.121 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.433 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 29.7 Cg_exo -60.07 162.15 17.35 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.298 1.999 . . . . 0.0 111.771 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.796 HG22 ' HG3' ' A' ' 31' ' ' GLU . 29.6 m -74.48 121.08 25.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-O 121.234 0.54 . . . . 0.0 112.384 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -114.84 147.95 39.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.704 179.141 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.7 ' CE2' HD23 ' A' ' 90' ' ' LEU . 19.2 p90 -147.68 169.06 20.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.975 0.416 . . . . 0.0 111.383 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -103.03 127.9 50.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.41 179.572 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.517 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.6 mt -109.04 -23.51 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.345 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -121.55 143.75 49.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.938 0.399 . . . . 0.0 110.999 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -12.08 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.775 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.31 -3.64 53.19 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.03 26.05 7.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.0 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.49 116.8 22.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.544 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.8 m-85 -110.35 132.22 54.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.494 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 88.1 m-85 -123.9 166.7 15.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.464 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' MET . . . . . 0.505 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 6.3 mtm -134.15 146.91 50.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.655 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.693 HD12 HG21 ' A' ' 15' ' ' VAL . 14.6 mt -74.84 118.92 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.45 44.07 Favored Glycine 0 C--N 1.332 0.319 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.012 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 28' ' ' ILE . 33.8 t -64.16 -41.91 96.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.202 0.525 . . . . 0.0 109.754 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.796 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.6 mm-40 -69.79 -39.27 76.7 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.117 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.916 ' O ' HD12 ' A' ' 36' ' ' LEU . 19.9 t -66.0 -40.77 88.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.298 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.33 -50.75 63.53 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.107 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.4 p30 -64.22 -33.05 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.043 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.484 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.5 t80 -60.27 -42.9 96.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.855 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.916 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.4 mp -94.28 -3.51 50.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.802 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 68.57 31.32 4.79 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.44 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.1 mtp -102.19 126.21 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.027 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -126.55 173.1 9.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.146 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.13 44.37 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.792 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.12 16.92 58.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.404 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.6 t -57.99 -33.8 69.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.829 0.347 . . . . 0.0 110.981 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.623 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.0 tp -64.87 -51.39 62.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.05 -39.01 79.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -32.47 74.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.018 0.437 . . . . 0.0 110.445 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -92.01 -16.52 26.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.11 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 65.3 m-85 -133.68 64.01 66.08 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.041 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 27.5 Cg_exo -61.99 -31.97 84.2 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.661 2.24 . . . . 0.0 112.747 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.8 -9.76 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.847 HD11 HD11 ' A' ' 99' ' ' ILE . 2.9 tp -74.22 133.89 42.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.594 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 63.2 t90 -71.86 120.6 17.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -139.58 138.35 36.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.596 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.4 159.42 41.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.753 0.311 . . . . 0.0 111.356 179.701 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.56 130.88 38.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 1.08 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -76.44 142.68 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.617 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.451 ' N ' ' HB2' ' A' ' 59' ' ' GLU . 7.8 p -71.84 169.5 15.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.391 179.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.84 -49.66 57.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.065 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -33.12 74.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.917 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.494 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 20.7 mt-10 -64.87 -43.57 92.54 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.291 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -62.63 -41.82 99.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.025 179.406 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -57.72 -46.5 84.33 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.011 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.832 0.349 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.48 114.2 26.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.455 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 1.08 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.0 mp -96.88 148.83 22.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.006 0.432 . . . . 0.0 111.335 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.727 ' CD2' HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -135.18 156.09 49.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.392 179.573 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 5.5 mmtp -70.99 122.04 19.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 0.0 110.722 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -52.58 -38.42 59.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.327 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -64.9 -35.9 82.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.069 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.481 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -67.94 -49.52 61.28 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.067 0.461 . . . . 0.0 110.515 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.633 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.4 t -62.5 -47.61 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.31 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -54.83 -41.48 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.627 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.8 mm-40 -63.08 -48.74 77.35 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.208 0.528 . . . . 0.0 110.499 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.847 HD11 HD11 ' A' ' 50' ' ' LEU . 4.1 mt -61.89 -39.21 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.671 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 18.0 mt -66.06 -34.85 79.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.151 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -14.37 59.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.058 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.46 3.89 53.12 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.427 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 26.2 t-20 -104.19 111.22 23.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.47 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.9 p-10 -166.54 16.65 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -56.49 -34.82 67.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -74.2 -26.35 60.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.481 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 24.7 m-85 -80.82 -38.27 28.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.395 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -72.51 -11.67 60.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.242 -179.318 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.397 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.63 117.69 31.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.09 110.11 8.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -95.98 123.47 39.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.02 112.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.789 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -157.29 130.17 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.0 mt -113.43 134.47 54.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 p -139.89 97.53 3.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -110.66 -29.74 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.471 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 1.4 p -100.48 142.0 32.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.687 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -138.2 126.13 22.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.485 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.39 -170.86 28.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 119.969 -1.11 . . . . 0.0 112.959 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -67.9 157.02 35.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HD2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -68.84 144.02 95.39 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -179.424 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD2' ' HD2' ' A' ' 13' ' ' LYS . 31.6 Cg_exo -59.8 160.71 20.49 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.421 2.081 . . . . 0.0 111.995 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.798 HG22 ' HG3' ' A' ' 31' ' ' GLU . 17.8 m -72.85 117.28 16.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-O 121.193 0.52 . . . . 0.0 111.722 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.0 OUTLIER -111.17 150.35 29.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.931 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.741 ' CE2' HD23 ' A' ' 90' ' ' LEU . 20.1 p90 -149.81 168.29 24.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.939 0.399 . . . . 0.0 111.186 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.48 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -102.77 127.95 49.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.265 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.57 HD11 HD22 ' A' ' 90' ' ' LEU . 4.6 mt -108.52 -21.3 12.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.418 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 2.4 mt-10 -128.16 143.97 51.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.001 0.429 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -12.14 28.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.943 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.16 2.37 27.91 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 111.882 0.326 . . . . 0.0 111.882 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.83 10.28 55.4 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.41 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.4 mt-10 -69.63 116.68 10.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.054 0.454 . . . . 0.0 110.604 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.48 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 5.7 m-85 -110.98 134.89 52.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.141 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 73.4 m-85 -123.96 166.67 15.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.467 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -132.54 147.69 52.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.431 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.767 HD12 HG21 ' A' ' 15' ' ' VAL . 17.6 mt -76.15 120.45 26.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.147 0.499 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.7 -28.81 47.51 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.936 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.441 ' H ' HG22 ' A' ' 28' ' ' ILE . 14.9 m -61.49 -42.2 98.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.081 0.467 . . . . 0.0 109.828 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.798 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.6 mm-40 -69.86 -42.22 73.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.972 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.648 ' O ' HD12 ' A' ' 36' ' ' LEU . 34.1 t -61.4 -40.88 87.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.308 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 43' ' ' LEU . . . -62.43 -50.7 62.19 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.208 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.2 p30 -65.94 -32.8 74.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.988 0.423 . . . . 0.0 110.219 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.487 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.3 t80 -59.83 -43.03 94.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.768 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.648 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mt -95.25 -4.0 46.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 68.45 32.27 4.55 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.42 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.1 126.1 47.77 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -126.49 175.0 8.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.103 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 60.4 36.93 20.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.754 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.83 19.45 67.48 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -33.96 70.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.336 . . . . 0.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -64.87 -48.54 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.886 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -72.26 -38.99 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -30.08 66.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.759 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.69 -24.07 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.721 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 69.0 m-85 -122.64 74.03 43.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.929 0.395 . . . . 0.0 111.147 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.585 ' HB2' HG22 ' A' ' 110' ' ' VAL . 20.0 Cg_endo -60.69 -32.1 92.78 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.951 2.434 . . . . 0.0 113.362 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 110' ' ' VAL . 0.3 OUTLIER -87.61 7.45 29.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.21 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.721 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.9 tp -84.07 129.34 34.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 0.0 111.19 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.551 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 68.5 t90 -69.86 116.31 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.841 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.52 138.43 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.698 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 12.5 ptt180 -154.52 166.1 34.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 111.247 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.96 147.98 22.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.526 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 1.048 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -99.18 142.05 31.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.385 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.1 p -71.97 167.54 19.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.152 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.6 -40.56 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.033 0.444 . . . . 0.0 110.315 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.07 -42.05 81.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.963 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.465 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 36.6 mt-10 -61.36 -45.29 95.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.503 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.766 ' HA ' HD12 ' A' ' 63' ' ' ILE . 6.5 mtm-85 -60.9 -42.32 97.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.388 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -57.58 -46.06 84.46 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -68.15 -34.76 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.064 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 60' ' ' ARG . 26.5 mt -60.3 -49.98 82.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.099 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 60' ' ' ARG . 22.0 t -63.6 -47.82 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.763 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.5 66.03 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.2 p -78.8 -51.19 10.1 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 t -76.24 -51.07 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 111.426 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.542 ' NE2' HG11 ' A' ' 15' ' ' VAL . 24.6 m170 -100.57 178.15 4.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.438 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.31 -77.57 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.408 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -32.69 6.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.822 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.423 ' HD2' ' CZ ' ' A' ' 81' ' ' TYR . 29.6 mttt 61.11 171.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.3 p -83.94 -168.43 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt 61.49 166.66 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -51.76 111.38 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.564 2.176 . . . . 0.0 112.361 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.73 153.75 49.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.7 p -112.83 163.98 13.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -90.57 -31.97 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.87 -32.04 70.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -117.91 161.86 19.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -117.6 -105.43 2.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.543 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.423 ' CZ ' ' HD2' ' A' ' 71' ' ' LYS . 6.9 m-85 -140.74 133.14 28.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -137.93 29.25 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.66 -51.18 2.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.705 HD22 ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -78.29 -0.31 28.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.6 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' N ' HD13 ' A' ' 84' ' ' LEU . . . -86.03 8.48 20.46 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.8 m -86.19 -35.51 20.03 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.828 0.346 . . . . 0.0 110.666 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.14 108.8 1.93 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.647 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.733 HG11 HD13 ' A' ' 63' ' ' ILE . 31.6 t -115.52 119.79 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.3 p -94.86 119.66 33.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.49 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.048 HD11 ' HB2' ' A' ' 55' ' ' ALA . 1.8 mp -96.78 149.14 22.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 111.289 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.501 HD21 HD23 ' A' ' 50' ' ' LEU . 1.7 mp -136.05 156.77 48.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.545 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.551 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 18.3 mmtt -72.28 122.05 20.45 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 110.704 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -52.88 -38.94 62.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 0.7 OUTLIER -65.02 -35.03 79.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.903 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.49 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -67.92 -49.39 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.015 0.436 . . . . 0.0 110.548 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.647 ' HA ' HD12 ' A' ' 99' ' ' ILE . 25.2 t -63.29 -43.67 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.442 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.2 -44.57 79.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.764 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.1 mm-40 -62.32 -48.37 80.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.053 0.454 . . . . 0.0 110.761 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 50' ' ' LEU . 4.3 mt -61.56 -39.18 82.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 13.6 mt -65.64 -35.79 81.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.843 178.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.81 -13.26 59.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.269 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.29 3.8 53.69 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.604 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 11.4 t30 -104.2 111.23 23.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.48 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 5.3 p-10 -168.31 19.0 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.49 -38.02 73.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.862 0.363 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -74.1 -21.06 60.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.48 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 24.7 m-85 -83.64 -33.13 25.34 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.817 0.341 . . . . 0.0 111.486 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.464 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -78.56 -32.19 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.73 -178.485 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.445 ' O ' ' HB ' ' A' ' 110' ' ' VAL . . . -116.19 29.33 8.03 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.585 HG22 ' HB2' ' A' ' 48' ' ' PRO . 88.3 t 69.58 -55.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.086 0.469 . . . . 0.0 111.345 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.477 ' O ' HG22 ' A' ' 112' ' ' ILE . 4.7 t -159.45 -38.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.286 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 111' ' ' SER . 0.5 OUTLIER 44.83 42.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.007 0.432 . . . . 0.0 111.481 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.943 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.14 -42.25 13.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.351 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.4 ttm -74.6 161.09 30.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mtt 60.52 79.85 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -101.33 -31.62 10.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -168.84 87.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.4 mt -91.71 96.68 10.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -136.4 144.0 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -139.77 -46.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.49 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.9 p -111.34 135.83 51.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.604 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.26 126.53 23.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.298 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.69 -170.46 28.09 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 119.764 -1.208 . . . . 0.0 112.834 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.45 156.98 35.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -68.44 145.13 97.09 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 120.652 0.263 . . . . 0.0 110.294 -179.2 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 32.2 Cg_exo -59.82 159.34 25.28 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.368 2.045 . . . . 0.0 112.14 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.777 HG22 ' HG3' ' A' ' 31' ' ' GLU . 16.0 m -72.78 116.43 14.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.433 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -112.64 147.88 35.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.043 179.77 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.62 ' CE2' HD23 ' A' ' 90' ' ' LEU . 16.5 p90 -147.57 167.92 23.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.915 0.388 . . . . 0.0 111.465 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.457 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -102.98 127.97 49.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.239 179.485 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.6 mt -107.61 -23.44 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.551 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 2.3 mm-40 -125.76 143.94 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.979 0.418 . . . . 0.0 111.318 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.05 -12.11 24.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.951 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -81.1 3.25 24.06 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.94 11.63 54.42 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.368 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -70.07 116.79 10.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.027 0.441 . . . . 0.0 110.7 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.1 m-85 -112.05 134.29 53.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.102 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 78.1 m-85 -125.02 166.55 16.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.663 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.47 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.22 148.71 52.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.44 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.738 HD12 HG21 ' A' ' 15' ' ' VAL . 15.3 mt -78.59 122.25 33.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.091 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.97 -26.66 42.31 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.981 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.471 ' H ' HG22 ' A' ' 28' ' ' ILE . 9.8 p -62.78 -42.21 99.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.15 0.5 . . . . 0.0 109.881 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.777 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.5 mm-40 -71.11 -42.66 68.98 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.007 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.904 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.4 t -61.22 -40.8 87.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.347 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.67 -50.77 59.26 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.287 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.5 p30 -66.43 -33.1 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.261 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.49 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 4.7 t80 -61.12 -42.87 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.859 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.904 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -94.02 -4.51 49.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.93 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.57 32.47 4.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.504 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.0 mtp -100.99 126.05 47.64 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -126.75 175.0 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.223 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.48 39.49 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.27 19.58 62.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.398 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -60.15 -33.83 72.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.8 tp -65.49 -52.07 55.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.587 ' OH ' HG21 ' A' ' 89' ' ' THR . 25.3 m-85 -68.22 -39.04 82.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.011 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -70.31 -33.93 72.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.642 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -84.94 -17.91 36.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.067 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.58 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.5 m-85 -130.36 68.16 80.93 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HB2' ' CG2' ' A' ' 110' ' ' VAL . 24.9 Cg_exo -62.55 -32.31 79.84 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.536 2.158 . . . . 0.0 113.037 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.431 ' HB2' ' HA ' ' A' ' 110' ' ' VAL . 5.2 t -78.11 -1.18 31.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.559 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.616 HD11 HD11 ' A' ' 99' ' ' ILE . 9.0 tp -78.12 139.96 39.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.857 0.36 . . . . 0.0 111.185 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.625 ' O ' HD23 ' A' ' 91' ' ' LEU . 70.2 t90 -79.01 117.38 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.63 138.85 36.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.452 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -153.05 146.57 25.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.838 0.351 . . . . 0.0 111.295 179.6 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.94 153.16 41.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.627 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.988 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -105.19 137.06 43.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.53 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.631 HG23 ' OE1' ' A' ' 59' ' ' GLU . 13.2 p -71.99 171.37 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.371 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 31.9 t -61.39 -37.7 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.995 0.426 . . . . 0.0 110.648 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -70.29 -51.01 33.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.612 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.631 ' OE1' HG23 ' A' ' 56' ' ' THR . 69.5 mt-10 -61.28 -46.22 91.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.861 ' HA ' HD12 ' A' ' 63' ' ' ILE . 9.6 ptp180 -60.81 -41.97 96.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -45.0 87.6 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -68.02 -34.7 76.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.084 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.861 HD12 ' HA ' ' A' ' 60' ' ' ARG . 34.1 mt -59.78 -42.69 89.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.753 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 1.055 HG22 HD23 ' A' ' 84' ' ' LEU . 24.6 t -64.62 -49.58 79.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.541 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.44 -39.36 67.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.999 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -79.05 -51.25 9.83 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 t -75.32 -43.84 48.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.685 0.278 . . . . 0.0 111.599 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.572 ' NE2' HG11 ' A' ' 15' ' ' VAL . 24.4 m170 -108.94 163.59 13.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.02 0.438 . . . . 0.0 111.477 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.83 -36.45 3.66 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.413 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.1 -31.37 7.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 156.14 28.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.6 m 60.33 78.1 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -80.8 152.31 71.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.62 -27.38 27.21 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.583 2.189 . . . . 0.0 112.319 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -154.47 -58.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.71 -45.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.989 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -99.6 -178.78 3.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -76.98 153.6 34.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -173.07 -62.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.15 -156.25 16.25 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.452 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -120.61 160.22 23.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.815 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 t -75.57 -35.26 60.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.39 142.6 24.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.769 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 1.055 HD23 HG22 ' A' ' 64' ' ' VAL . 2.2 tp -179.08 -27.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.419 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.58 26.96 0.75 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.3 t -109.37 -36.86 5.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.081 0.467 . . . . 0.0 110.148 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.15 107.51 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.568 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.728 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 23.4 t -117.25 120.01 63.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.272 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.587 HG21 ' OH ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -95.45 125.92 40.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.602 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.988 HD11 ' HB2' ' A' ' 55' ' ' ALA . 3.4 mp -101.85 147.05 26.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.399 . . . . 0.0 111.313 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -135.55 156.53 48.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.753 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.542 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.6 mmtp -74.37 121.13 20.9 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.913 0.387 . . . . 0.0 111.024 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -49.63 -47.04 50.03 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.622 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.2 p -60.66 -37.19 80.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.427 ' OE2' ' CE1' ' A' ' 107' ' ' TYR . 10.3 mt-10 -68.98 -49.21 59.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 110.807 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.693 ' HA ' HD12 ' A' ' 99' ' ' ILE . 17.2 t -61.45 -49.28 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.105 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -55.13 -39.74 69.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.808 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.603 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.8 mm-40 -62.11 -48.55 79.66 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.231 0.538 . . . . 0.0 110.499 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.8 mt -61.89 -39.11 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.733 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 29.1 mt -66.75 -33.66 76.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.026 178.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -77.75 -14.58 59.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.957 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.64 3.81 52.61 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.624 -0.717 . . . . 0.0 112.589 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.603 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 23.3 t-20 -104.22 111.43 24.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.485 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 8.0 p-10 -168.64 18.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.93 -37.67 71.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.908 0.385 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.405 ' HE2' ' CD1' ' A' ' 107' ' ' TYR . 9.0 ptmt -74.08 -22.87 59.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.136 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 25.1 m-85 -81.9 -33.13 30.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.492 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -79.18 -30.55 43.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.355 -178.833 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.443 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -96.56 24.78 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.626 ' O ' HG22 ' A' ' 110' ' ' VAL . 14.7 p 42.58 31.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.801 0.334 . . . . 0.0 111.597 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.04 -179.0 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 111.252 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 112' ' ' ILE . 3.6 mp -142.02 30.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.929 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.3 p -95.66 102.84 14.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.23 117.95 5.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.53 81.22 1.99 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.63 -169.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.61 43.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mt -133.9 162.36 32.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.8 t -164.04 -43.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.054 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -94.76 -34.88 12.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.926 HG21 HD23 ' A' ' 100' ' ' LEU . 17.1 p -115.29 139.75 49.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.709 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -127.95 129.43 46.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.172 -178.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.0 -175.93 17.63 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.391 -0.909 . . . . 0.0 114.462 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -67.77 157.98 33.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.804 -0.698 . . . . 0.0 111.418 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HD3' ' CD1' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.31 140.07 92.63 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.029 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 26.6 Cg_exo -63.2 159.3 39.9 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.635 2.223 . . . . 0.0 112.116 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.886 HG22 ' HG3' ' A' ' 31' ' ' GLU . 31.0 m -72.72 118.56 18.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.273 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.86 154.88 20.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.698 -179.535 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.576 ' CE2' HD21 ' A' ' 19' ' ' LEU . 17.2 p90 -153.29 169.34 23.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.64 127.98 49.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.769 HD12 ' CD2' ' A' ' 26' ' ' TYR . 68.4 mt -103.53 -31.08 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.048 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.0 147.78 46.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.016 0.436 . . . . 0.0 111.176 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.05 -11.81 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.857 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -81.06 3.53 22.94 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.38 19.47 27.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.36 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.88 117.0 18.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.546 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.419 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.6 m-85 -112.08 132.28 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.349 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.769 ' CD2' HD12 ' A' ' 19' ' ' LEU . 77.8 m-85 -124.03 166.53 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.606 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.423 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.37 148.12 52.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.55 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.697 HG13 HG23 ' A' ' 15' ' ' VAL . 18.5 mt -72.14 121.38 22.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.259 0.552 . . . . 0.0 111.258 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 91' ' ' LEU . . . -54.84 -33.38 56.12 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.784 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -59.8 -40.45 88.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.209 0.528 . . . . 0.0 109.808 179.111 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.886 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.1 mm-40 -66.45 -45.06 81.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.687 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.737 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.8 t -60.48 -40.42 84.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.196 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.56 -50.22 69.14 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.91 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 18.4 p30 -62.7 -32.77 73.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.048 0.451 . . . . 0.0 110.133 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.552 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -59.61 -43.59 93.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.563 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.737 HD12 ' O ' ' A' ' 32' ' ' VAL . 2.4 mp -99.96 1.4 42.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.635 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.01 26.72 7.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.357 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.5 mtt -101.01 125.98 47.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.252 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -126.84 174.75 8.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 55.41 36.49 27.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.51 22.59 78.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.497 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.71 -33.89 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.667 ' CD1' HD13 ' A' ' 36' ' ' LEU . 2.9 tp -64.97 -52.01 58.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' A' ' 91' ' ' LEU . 32.1 m-85 -65.26 -37.42 87.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -65.99 -34.21 77.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -92.43 -11.62 34.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.214 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.542 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 72.8 m-85 -133.03 66.73 76.61 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.69 0.281 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.464 ' HB2' ' HB ' ' A' ' 110' ' ' VAL . 24.5 Cg_exo -62.73 -32.02 78.51 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.506 2.137 . . . . 0.0 112.813 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 107' ' ' TYR . 0.6 OUTLIER -76.51 -1.36 26.91 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.851 HD11 HD11 ' A' ' 99' ' ' ILE . 3.2 tp -82.32 132.94 35.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.586 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.6 t90 -69.98 122.0 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.41 138.79 36.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.883 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.485 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 9.2 mtm180 -151.63 166.21 31.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.158 0.504 . . . . 0.0 111.893 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.75 150.37 21.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.444 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.932 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -83.53 121.88 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.08 0.467 . . . . 0.0 112.166 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 p -71.98 171.88 11.03 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.706 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 21.0 t -55.73 -40.89 63.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.125 0.488 . . . . 0.0 110.794 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -47.11 63.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.301 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.556 ' HG2' HD22 ' A' ' 19' ' ' LEU . 86.4 mt-10 -60.11 -45.25 93.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.077 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.844 ' HA ' HD12 ' A' ' 63' ' ' ILE . 1.1 ptm180 -60.94 -45.43 94.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.722 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -57.73 -38.38 75.21 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.795 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.483 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 6.5 mttt -68.51 -35.15 77.08 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.695 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 60' ' ' ARG . 15.1 mt -71.17 -26.49 27.24 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.141 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.384 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 60' ' ' ARG . 58.3 t -60.54 -50.59 79.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.26 -37.2 66.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.378 0.608 . . . . 0.0 110.154 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.513 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 6.6 m -77.57 -12.6 59.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.78 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 63' ' ' ILE . 94.4 p -53.47 -11.84 0.38 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' A' ' 67' ' ' SER . 71.1 m80 71.04 157.58 0.17 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.909 0.385 . . . . 0.0 111.116 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -151.1 21.96 0.98 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.617 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -117.12 -36.22 3.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -66.51 -31.84 72.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 62.3 m -85.11 159.44 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.95 115.72 29.12 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.73 -27.16 32.78 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.434 2.089 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -59.92 -52.61 64.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -80.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.024 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -140.56 123.86 16.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -176.6 104.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -144.99 -47.71 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.43 130.74 2.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.415 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 81' ' ' TYR . 38.2 p90 -97.2 128.73 44.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 82' ' ' THR . 7.2 m -145.84 15.92 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.305 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -126.57 -15.65 5.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.49 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.741 HD21 HG22 ' A' ' 63' ' ' ILE . 2.5 tt -78.31 0.39 25.61 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.3 -25.72 5.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.613 0.244 . . . . 0.0 111.563 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -39.2 69.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 111.044 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.35 113.02 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.424 ' HB ' ' CB ' ' A' ' 55' ' ' ALA . 3.9 t -123.9 129.04 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.13 122.48 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.613 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.932 HD11 ' HB2' ' A' ' 55' ' ' ALA . 4.4 mp -108.69 149.03 29.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.558 HD21 HD23 ' A' ' 50' ' ' LEU . 2.6 mp -136.07 156.68 48.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.732 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.586 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 7.6 mmtt -77.13 122.47 25.04 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.889 0.376 . . . . 0.0 110.764 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.25 -32.87 17.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.193 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.29 -42.58 96.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.446 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 2.4 mm-40 -67.13 -49.23 65.59 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.973 0.416 . . . . 0.0 110.602 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.608 ' HA ' HD12 ' A' ' 99' ' ' ILE . 14.7 t -61.44 -50.25 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.605 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -54.8 -39.83 68.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.932 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.646 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.4 mm-40 -62.83 -48.32 79.57 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.217 0.532 . . . . 0.0 110.688 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.851 HD11 HD11 ' A' ' 50' ' ' LEU . 4.3 mt -61.88 -39.41 83.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.761 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.926 HD23 HG21 ' A' ' 9' ' ' THR . 15.3 mt -65.57 -34.43 78.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.039 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -14.68 59.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.916 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.45 3.76 53.2 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.425 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.646 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 12.4 t30 -104.2 111.31 23.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.521 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 18.2 p-10 -165.84 15.06 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -56.1 -39.22 71.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -68.87 -26.32 65.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.749 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.521 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 18.8 m-85 -82.21 -38.42 24.58 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.561 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -75.13 -17.67 60.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.51 -179.129 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.428 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -116.01 20.07 14.65 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 110' ' ' VAL . 14.9 p 42.64 42.37 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.949 0.404 . . . . 0.0 111.446 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.7 t -44.37 -82.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.857 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.6 mt -144.38 84.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.262 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.853 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 112.591 -0.204 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.27 94.86 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.796 0.332 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.2 ttt -126.15 -44.64 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.73 172.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.3 mtt -152.11 123.1 7.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.33 155.68 24.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.405 HD12 ' OG ' ' A' ' 7' ' ' SER . 0.3 OUTLIER -138.05 -46.4 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.05 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.405 ' OG ' HD12 ' A' ' 6' ' ' LEU . 14.1 m -120.67 117.61 27.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.834 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.95 -30.23 6.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.174 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.474 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 1.9 p -124.45 135.85 53.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.845 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.32 126.41 22.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.235 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.5 -170.45 28.36 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 119.742 -1.218 . . . . 0.0 112.957 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -67.67 157.05 35.47 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 4.4 tppp? -68.43 145.2 97.14 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 32.0 Cg_exo -59.82 158.27 29.61 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.324 2.016 . . . . 0.0 112.071 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.747 HG22 ' HG3' ' A' ' 31' ' ' GLU . 12.6 m -72.76 119.21 19.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.26 0.552 . . . . 0.0 111.786 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.15 160.3 18.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.933 179.383 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.713 ' CE2' HD23 ' A' ' 90' ' ' LEU . 19.3 p90 -158.81 168.04 27.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.938 0.399 . . . . 0.0 111.291 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.449 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.84 128.01 49.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.507 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.712 HD11 HD22 ' A' ' 90' ' ' LEU . 6.4 mt -107.64 -22.52 12.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.208 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 3.4 mm-40 -127.02 143.92 51.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.956 0.408 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -65.72 -11.87 49.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.739 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -81.1 0.51 35.8 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.37 26.01 9.71 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.239 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 17.1 mm-40 -84.31 116.87 23.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.876 0.338 . . . . 0.0 110.67 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.5 m-85 -111.68 134.12 53.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 111.023 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 88.0 m-85 -124.95 166.52 16.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.482 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.437 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -132.75 147.21 52.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.547 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.694 HD12 HG21 ' A' ' 15' ' ' VAL . 12.3 mt -77.86 121.21 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.109 0.481 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.91 -26.43 41.02 Favored Glycine 0 C--N 1.333 0.372 0 CA-C-N 115.83 -0.623 . . . . 0.0 113.039 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.427 ' H ' HG22 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -63.11 -42.51 99.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.084 0.469 . . . . 0.0 109.899 179.157 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.747 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.8 mm-40 -71.35 -41.45 69.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.071 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.921 ' O ' HD12 ' A' ' 36' ' ' LEU . 32.8 t -62.59 -40.74 89.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.377 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.71 -50.75 59.26 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.357 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.0 p30 -64.97 -32.99 74.98 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.03 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.5 t80 -61.37 -42.95 99.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.768 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.921 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -92.91 -4.13 53.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.945 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 68.75 31.85 4.32 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.547 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.4 mmm -101.61 126.18 48.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.085 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -126.6 174.97 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.126 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.74 33.76 23.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.804 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.13 19.11 79.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.493 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -58.37 -33.82 70.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.769 0.319 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.59 ' CD1' HD13 ' A' ' 36' ' ' LEU . 5.5 tp -64.83 -49.24 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.753 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -71.45 -35.14 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.779 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -34.74 75.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.324 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -86.71 -18.48 31.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.73 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.509 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 99.4 m-85 -135.18 60.73 41.4 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.625 ' HG2' HG11 ' A' ' 110' ' ' VAL . 21.0 Cg_exo -64.96 -28.16 58.07 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.367 2.045 . . . . 0.0 112.62 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -3.77 45.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 95' ' ' GLU . 7.6 tp -75.55 140.54 42.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.529 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.526 ' CH2' ' CE2' ' A' ' 26' ' ' TYR . 78.0 t90 -69.29 122.29 18.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.767 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.12 138.63 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.783 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.424 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 4.5 mtt-85 -149.69 166.03 30.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.195 0.522 . . . . 0.0 111.639 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.13 151.88 19.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.41 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 1.002 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -107.62 133.74 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.049 0.452 . . . . 0.0 111.715 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 p -71.91 171.38 11.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.445 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.58 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 37.7 t -59.52 -33.45 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.152 0.501 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -70.48 -46.81 63.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.724 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -62.66 -47.83 81.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.96 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.949 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 1.0 OUTLIER -60.77 -39.03 87.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.201 179.792 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -58.05 -48.17 80.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.763 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -34.68 77.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.304 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 60' ' ' ARG . 33.1 mt -59.77 -41.04 84.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.959 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 60' ' ' ARG . 41.0 t -70.88 -49.6 49.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.663 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.33 -42.17 65.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.41 -51.23 10.35 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.67 -43.76 45.85 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.552 ' NE2' HG11 ' A' ' 15' ' ' VAL . 21.1 m170 -106.18 156.02 18.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.103 0.478 . . . . 0.0 111.47 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.53 -96.52 0.15 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.545 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.19 108.88 17.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.794 0.33 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -117.87 -34.83 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 p -92.87 173.19 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.993 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 14.4 mttt -69.12 -61.38 3.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 35.3 Cg_endo -65.14 108.32 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.488 2.126 . . . . 0.0 112.259 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -137.46 113.82 10.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.29 -47.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -57.23 144.87 33.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.8 105.08 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -120.84 170.64 9.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.64 -40.09 7.39 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 62.17 118.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.864 0.364 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.3 m -145.65 78.68 1.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.635 ' HB ' HD13 ' A' ' 84' ' ' LEU . 94.7 m -112.0 -23.03 10.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.671 HD13 ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -149.08 62.85 1.04 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.036 0.446 . . . . 0.0 111.105 179.674 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.949 ' HB1' ' CZ ' ' A' ' 60' ' ' ARG . . . -113.05 -27.23 8.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.372 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -36.91 69.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.6 p -158.98 113.24 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.679 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 12.6 t -111.46 127.27 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.26 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.1 p -90.89 114.46 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.232 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.002 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.3 mp -96.91 147.22 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.07 0.462 . . . . 0.0 111.626 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 90' ' ' LEU . 11.0 mp -135.27 156.32 49.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.484 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.508 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 15.6 mmtt -69.99 121.59 17.7 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.867 0.365 . . . . 0.0 110.824 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.89 -50.39 57.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.5 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 98' ' ' GLU . 39.5 p -56.53 -33.91 66.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.078 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.749 ' HB3' HD11 ' A' ' 50' ' ' LEU . 19.4 mt-10 -67.58 -49.47 63.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.921 0.391 . . . . 0.0 110.791 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.734 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.2 t -63.38 -34.8 69.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.314 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -45.1 95.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.326 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 1.7 mt-10 -62.03 -48.29 80.96 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.383 0.611 . . . . 0.0 110.673 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.917 HG23 ' OD2' ' A' ' 104' ' ' ASP . 3.6 mt -61.68 -38.94 81.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.695 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 14.6 mt -65.75 -35.31 80.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.55 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.55 -15.88 58.99 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.209 0.528 . . . . 0.0 109.795 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.89 3.06 52.26 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.57 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 18.5 p-10 -105.15 110.68 23.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.917 ' OD2' HG23 ' A' ' 99' ' ' ILE . 22.5 p30 -160.13 8.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.414 ' HA ' ' HG3' ' A' ' 108' ' ' LYS . 8.8 mt-10 -51.67 -31.91 27.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.688 0.28 . . . . 0.0 111.403 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.44 ' HD2' ' CZ ' ' A' ' 107' ' ' TYR . 1.8 ptpp? -67.97 -33.74 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.481 ' CE2' ' HG2' ' A' ' 95' ' ' GLU . 19.5 m-85 -81.06 -31.08 34.61 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -84.86 -5.83 59.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.736 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -103.82 30.61 4.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.955 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.625 HG11 ' HG2' ' A' ' 48' ' ' PRO . 12.4 p -39.46 -32.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.3 136.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.0 110.973 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 112' ' ' ILE . 2.9 mt -112.61 36.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.04 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.6 p . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.936 -179.89 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.167 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 m -111.33 136.78 49.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 60.83 174.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.29 120.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.55 96.96 4.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.67 110.84 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.22 135.82 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -144.96 156.36 43.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.674 ' HE3' ' HZ3' ' A' ' 108' ' ' LYS . 23.9 mmtm 63.84 -76.29 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.732 HG21 ' HA ' ' A' ' 100' ' ' LEU . 4.3 p -96.29 135.96 37.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.74 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -128.89 129.84 46.05 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -178.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.43 -175.39 18.87 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.453 -0.88 . . . . 0.0 114.51 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -67.77 158.09 33.22 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 114.729 -0.736 . . . . 0.0 111.437 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HD2' ' CD1' ' A' ' 100' ' ' LEU . 0.7 OUTLIER -68.29 141.55 93.8 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.069 -179.579 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 24.1 Cg_exo -64.43 160.22 40.4 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.596 2.197 . . . . 0.0 112.288 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.88 HG22 ' HG3' ' A' ' 31' ' ' GLU . 26.4 m -72.66 117.8 16.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.271 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.67 156.74 18.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.587 -179.358 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.752 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 24.5 p90 -155.4 166.48 33.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.444 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.85 127.86 49.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.384 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.52 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.5 mt -108.94 -25.72 10.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.171 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -120.1 143.84 47.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.892 0.377 . . . . 0.0 111.013 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -66.69 -12.06 56.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.713 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -81.33 -0.02 39.18 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.1 25.98 9.18 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.432 -0.89 . . . . 0.0 113.135 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -82.32 116.73 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 0.0 110.573 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.444 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 7.1 m-85 -111.0 131.75 54.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.172 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.531 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 88.2 m-85 -124.63 166.5 16.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.662 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.413 ' HE3' ' CE ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -130.99 148.79 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.42 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.667 HG13 HG23 ' A' ' 15' ' ' VAL . 14.4 mt -75.44 123.31 31.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-O 121.333 0.587 . . . . 0.0 111.238 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.9 -29.94 52.12 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.891 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.436 ' H ' HG22 ' A' ' 28' ' ' ILE . 72.7 m -61.88 -41.27 97.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.213 0.53 . . . . 0.0 109.828 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.88 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.1 mm-40 -67.52 -44.68 77.83 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.812 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.824 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.8 t -60.79 -40.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.089 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.22 69.2 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.968 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 18.8 p30 -62.64 -32.88 74.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.424 . . . . 0.0 110.118 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -59.55 -43.51 93.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.474 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.861 HD13 ' CD1' ' A' ' 43' ' ' LEU . 2.7 mp -99.61 1.29 43.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.687 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.73 26.35 9.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.39 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 125.93 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.32 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -126.9 174.43 8.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 54.75 43.4 30.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.967 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.86 21.74 71.56 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.554 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -66.4 -33.78 76.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.821 0.343 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.861 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.5 tp -64.84 -50.71 65.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.761 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.429 ' HE1' HD11 ' A' ' 91' ' ' LEU . 30.0 m-85 -66.36 -36.45 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -37.64 88.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.608 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.36 -12.75 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.167 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.48 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.6 m-85 -135.36 62.76 52.1 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.746 0.308 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.705 ' HG2' HG22 ' A' ' 110' ' ' VAL . 39.4 Cg_exo -60.5 -31.98 93.09 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.661 2.241 . . . . 0.0 112.913 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -14.88 61.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.453 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.889 HD11 HD11 ' A' ' 99' ' ' ILE . 3.6 tp -67.2 132.97 48.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 111.115 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.603 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 68.1 t90 -69.84 117.3 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.56 138.89 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 6.4 ptt180 -152.84 156.63 39.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.841 0.353 . . . . 0.0 111.208 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.86 153.09 27.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 1.065 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -108.85 135.35 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.03 0.443 . . . . 0.0 111.627 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.712 HG23 ' OE1' ' A' ' 59' ' ' GLU . 6.2 p -74.84 171.42 14.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.807 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 39.5 t -54.3 -49.24 65.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.333 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.09 -38.31 88.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.208 0.528 . . . . 0.0 109.684 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.712 ' OE1' HG23 ' A' ' 56' ' ' THR . 17.7 mt-10 -61.27 -46.92 88.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.758 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.708 ' HA ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -60.88 -38.4 85.51 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.672 0.272 . . . . 0.0 110.299 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 10.5 mttp -58.17 -48.71 79.43 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -68.1 -34.7 76.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.352 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.834 HD13 HG11 ' A' ' 88' ' ' VAL . 30.8 mt -61.2 -51.27 75.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 60' ' ' ARG . 35.4 t -62.64 -46.87 95.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.681 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.14 -45.09 61.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.1 m -74.47 -51.18 15.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.779 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -72.76 -56.07 5.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.507 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.534 ' NE2' HG11 ' A' ' 15' ' ' VAL . 27.0 m170 -97.36 163.76 12.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.641 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 163.94 72.43 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.345 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.0 mptt 62.42 114.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.774 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.94 -177.06 6.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.64 103.4 5.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.9 147.15 63.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.84 -27.78 36.12 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.541 2.161 . . . . 0.0 112.323 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -80.82 120.33 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.58 -37.1 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -87.22 -34.06 19.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.17 161.64 15.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -129.9 107.61 9.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -111.35 63.68 0.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -84.01 -29.64 26.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.755 0.312 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.58 77.72 3.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.805 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.695 ' C ' HD13 ' A' ' 84' ' ' LEU . 8.4 m -122.79 -1.96 8.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.527 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.722 HD13 ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -149.94 77.96 1.33 Allowed 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.85 0.357 . . . . 0.0 111.179 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.516 ' HB1' ' HD3' ' A' ' 60' ' ' ARG . . . -123.82 -36.03 2.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.92 -32.44 67.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.673 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -159.13 108.03 1.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.834 HG11 HD13 ' A' ' 63' ' ' ILE . 29.0 t -111.21 122.32 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.751 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.7 p -90.85 121.06 32.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.684 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.065 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.2 mp -101.82 146.07 28.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.468 HD21 HD23 ' A' ' 50' ' ' LEU . 3.9 mp -136.49 150.47 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.398 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.603 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 5.5 mmmt -73.67 122.44 22.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.896 0.379 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.83 -34.02 18.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.362 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.4 m -63.1 -42.65 99.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.476 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 1.5 mm-40 -68.01 -49.42 61.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.913 0.387 . . . . 0.0 110.694 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.4 t -61.82 -50.09 81.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.825 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -54.73 -42.18 71.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.741 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.522 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -60.82 -48.54 81.34 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.983 0.42 . . . . 0.0 110.938 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.889 HD11 HD11 ' A' ' 50' ' ' LEU . 4.2 mt -61.97 -39.26 83.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.732 ' HA ' HG21 ' A' ' 9' ' ' THR . 6.5 mt -63.91 -36.97 85.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.094 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -77.38 -14.06 59.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.24 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.33 3.83 53.53 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.557 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.522 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 15.2 t-20 -104.16 110.86 23.21 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 177.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 14.0 p-10 -164.21 15.59 0.05 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.81 -44.1 69.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.999 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -29.44 70.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.552 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 18.4 m-85 -80.24 -43.93 20.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.358 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.674 ' HZ3' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -69.5 -11.96 61.26 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.135 -179.688 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.443 ' O ' ' HB ' ' A' ' 110' ' ' VAL . . . -95.01 23.16 5.83 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.705 HG22 ' HG2' ' A' ' 48' ' ' PRO . 95.6 t 69.97 -55.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.899 0.38 . . . . 0.0 111.414 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.5 m -133.79 164.62 26.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.5 mt -72.7 -32.5 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.062 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.3 121.26 25.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.5 ttp -79.09 -68.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.75 151.68 22.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.9 mtm -171.79 35.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.38 150.84 20.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -142.94 117.1 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.35 170.89 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -128.03 107.38 9.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.786 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.504 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 4.1 p -151.83 141.06 21.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.581 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.432 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -138.14 126.29 22.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.512 -179.699 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.38 -170.81 28.85 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.976 -1.107 . . . . 0.0 112.988 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -67.91 157.01 35.93 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -68.78 142.38 93.65 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 27.0 Cg_exo -60.23 162.32 17.38 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.124 1.883 . . . . 0.0 111.679 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.779 HG22 ' HG3' ' A' ' 31' ' ' GLU . 24.3 m -75.86 120.87 26.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.366 0.603 . . . . 0.0 112.282 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -114.03 152.04 31.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.712 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' HE1' HD21 ' A' ' 90' ' ' LEU . 17.3 p90 -152.41 169.23 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 111.262 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -102.92 128.2 49.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.379 179.691 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.6 mt -109.03 -19.87 13.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.459 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 3.1 mm-40 -129.24 143.96 51.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 111.212 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.56 -12.02 29.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.989 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -81.22 3.08 25.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.3 10.21 56.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.541 -0.838 . . . . 0.0 113.359 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 2.0 tt0 -69.22 116.7 9.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.766 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.469 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 5.4 m-85 -111.32 132.86 54.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.206 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.566 ' CB ' HD23 ' A' ' 90' ' ' LEU . 85.4 m-85 -122.85 166.58 14.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.617 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.495 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 6.3 mtm -133.81 148.28 51.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.452 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.689 HG13 HG23 ' A' ' 15' ' ' VAL . 11.5 mt -75.0 119.29 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.082 0.468 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.61 -32.06 53.36 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.78 -0.646 . . . . 0.0 113.111 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.6 p -62.48 -39.64 94.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.779 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -69.08 -40.49 78.4 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.055 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.916 ' O ' HD12 ' A' ' 36' ' ' LEU . 33.1 t -66.03 -40.76 88.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.472 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.0 -50.75 64.06 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.402 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 9.2 p30 -65.26 -33.07 75.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.031 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.504 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 5.0 t80 -59.82 -42.78 94.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.719 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.916 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.4 mp -95.27 -3.41 47.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.883 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.61 29.69 5.35 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.289 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -102.28 126.07 49.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.14 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -126.59 175.13 8.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 58.72 42.74 19.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.005 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.37 25.08 62.26 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.426 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -64.99 -33.9 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.697 ' CD1' HD13 ' A' ' 36' ' ' LEU . 1.5 tp -64.81 -45.74 84.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.95 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.549 ' HE2' HD11 ' A' ' 91' ' ' LEU . 25.0 m-85 -70.54 -39.14 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -41.31 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.749 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.411 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -75.19 -28.06 59.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.882 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.56 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 58.9 m-85 -125.56 73.83 68.88 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.69 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.412 ' HB2' ' CG2' ' A' ' 110' ' ' VAL . 21.6 Cg_exo -64.39 -29.14 62.87 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.543 2.162 . . . . 0.0 112.277 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . 0.6 OUTLIER -80.15 -2.65 45.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.435 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.577 ' CD1' HD11 ' A' ' 99' ' ' ILE . 7.3 tp -78.84 131.69 36.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 111.246 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 71.4 t90 -69.97 116.15 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -139.6 138.34 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.697 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.617 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.56 163.31 40.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 111.586 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.26 135.37 38.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.459 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.893 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -83.96 143.48 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.957 0.408 . . . . 0.0 111.644 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.9 p -72.98 168.49 18.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.095 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.7 t -53.64 -39.34 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.181 0.515 . . . . 0.0 110.326 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -68.33 -44.39 75.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.073 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.637 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 26.1 mt-10 -60.51 -44.19 96.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.601 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.824 ' HA ' HD12 ' A' ' 63' ' ' ILE . 7.0 mtm-85 -61.02 -43.54 98.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.436 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -44.52 85.84 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -34.82 77.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.971 178.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.826 HD13 HG11 ' A' ' 88' ' ' VAL . 29.5 mt -59.72 -44.0 92.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.696 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.831 HG22 ' CD2' ' A' ' 84' ' ' LEU . 22.2 t -62.58 -49.97 81.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.577 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.71 -45.1 60.51 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.28 -51.41 15.36 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 5.3 t -64.65 -56.06 16.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.646 0.26 . . . . 0.0 111.58 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.735 ' CD2' HG11 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -174.27 -92.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.247 -179.49 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 81' ' ' TYR . . . 108.89 -44.59 1.46 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.419 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -90.67 -31.95 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -76.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.1 p 56.81 -178.38 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.033 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -59.05 109.76 2.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.85 62.27 3.88 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.383 2.055 . . . . 0.0 112.278 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -147.92 -47.47 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.9 p -57.83 177.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -83.32 116.6 22.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 59.53 176.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -113.3 100.09 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -106.86 151.48 16.89 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.54 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.447 ' CD2' ' N ' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -117.84 -0.04 11.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.522 0.201 . . . . 0.0 111.225 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 t -57.22 -37.38 72.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.787 0.327 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -126.94 123.03 36.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.736 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.831 ' CD2' HG22 ' A' ' 64' ' ' VAL . 0.7 OUTLIER 178.12 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.855 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.71 45.32 1.26 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.452 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -112.06 -37.17 5.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 110.607 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.4 p -159.04 108.59 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.551 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.826 HG11 HD13 ' A' ' 63' ' ' ILE . 33.2 t -122.38 124.02 69.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.294 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.9 131.39 36.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.307 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.893 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -114.12 145.2 41.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.025 0.44 . . . . 0.0 111.54 -179.451 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 90' ' ' LEU . 6.4 mp -136.36 154.07 50.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.467 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.583 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 13.7 mmtt -76.31 122.27 24.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 110.792 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.94 -32.84 22.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.98 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 7.6 t -64.19 -42.54 96.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.492 ' HB3' HD12 ' A' ' 50' ' ' LEU . 1.8 mm-40 -67.1 -49.28 65.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.662 ' HA ' HD12 ' A' ' 99' ' ' ILE . 7.1 t -62.82 -40.41 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.886 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.43 -45.62 91.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.723 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.48 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.1 mm-40 -61.41 -48.01 83.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 96' ' ' VAL . 4.2 mt -61.4 -39.28 82.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.974 0.416 . . . . 0.0 109.91 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 12.2 mt -65.4 -35.67 81.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.837 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -77.89 -13.11 59.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.227 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.18 3.86 53.98 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.702 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 55.9 t30 -104.31 111.18 23.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.511 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.8 p-10 -164.87 15.96 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.388 -0.525 . . . . 0.0 112.407 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.51 -43.88 76.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.932 0.396 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -25.38 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 16.9 m-85 -83.75 -46.03 12.69 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.355 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -66.09 -14.58 61.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.373 -179.422 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.439 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -116.01 24.09 11.72 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.587 ' O ' HG22 ' A' ' 110' ' ' VAL . 14.7 p 42.79 39.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.857 0.361 . . . . 0.0 111.601 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.8 t -52.35 123.8 11.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.177 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 24.8 mm -106.67 -33.51 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.919 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.29 140.18 46.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.7 mtt -75.53 169.27 18.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.9 mtt -105.56 34.11 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.1 mtt -139.43 30.83 2.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -131.57 131.56 43.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.9 mt -121.06 129.23 53.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.35 127.07 7.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm 71.63 7.12 5.89 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.557 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.492 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 3.0 p -141.19 135.78 31.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.714 0.293 . . . . 0.0 110.657 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.35 126.59 22.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.309 -179.689 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.68 -170.24 27.92 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 119.783 -1.199 . . . . 0.0 112.916 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -67.41 156.93 35.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.0 OUTLIER -68.58 145.27 96.99 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.291 . . . . 0.0 110.227 -179.226 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.6 Cg_exo -59.74 156.96 34.9 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.334 2.023 . . . . 0.0 112.069 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.796 HG22 ' HG3' ' A' ' 31' ' ' GLU . 14.2 m -72.87 116.1 14.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.549 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -108.55 155.83 20.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.872 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.743 ' CE2' HD23 ' A' ' 90' ' ' LEU . 26.2 p90 -152.92 167.65 28.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.421 . . . . 0.0 111.45 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -103.06 127.92 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.436 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.692 HD11 HD22 ' A' ' 90' ' ' LEU . 8.1 mt -108.78 -25.95 10.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -120.67 143.88 48.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -66.53 -12.18 56.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.714 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -0.16 39.88 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.58 22.88 10.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.094 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -78.56 116.87 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.547 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 7.1 m-85 -111.6 133.72 53.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.053 0.454 . . . . 0.0 111.03 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 82.1 m-85 -124.84 166.67 15.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.475 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.435 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.62 145.35 51.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.478 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.987 HD13 HD11 ' A' ' 84' ' ' LEU . 13.2 mt -75.46 121.9 28.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.733 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.77 -27.33 43.13 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.035 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.435 ' H ' HG22 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -62.73 -42.31 99.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.17 0.509 . . . . 0.0 109.941 179.156 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.796 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -70.83 -43.27 68.9 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.18 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.891 ' O ' HD12 ' A' ' 36' ' ' LEU . 22.0 t -61.51 -40.67 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.5 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.48 -50.72 60.04 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 20.0 p30 -66.63 -33.03 74.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.002 0.43 . . . . 0.0 110.381 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.492 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 5.3 t80 -60.89 -42.9 98.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.782 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.891 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.82 -4.1 47.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 68.66 31.1 4.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.527 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.7 mmt -101.35 126.1 48.07 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.77 175.04 8.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.171 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 57.84 44.41 20.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.809 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.28 19.53 46.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -57.42 -33.9 68.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.718 HD11 HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -64.87 -52.06 58.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -68.69 -38.56 80.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -33.57 73.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -88.96 -17.71 28.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.27 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.489 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 89.6 m-85 -131.17 69.36 82.27 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.0 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.424 ' HB2' ' CG2' ' A' ' 110' ' ' VAL . 25.1 Cg_exo -62.58 -32.13 79.65 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.645 2.23 . . . . 0.0 112.801 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.438 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . 0.5 OUTLIER -75.69 -5.06 43.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.395 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.731 HD11 HD11 ' A' ' 99' ' ' ILE . 4.0 tp -77.03 134.79 38.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 111.083 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.674 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 64.8 t90 -75.93 120.23 20.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.7 138.56 36.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.839 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.674 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.16 158.04 39.76 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 111.495 179.413 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.427 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -85.53 136.7 33.3 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.626 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 1.062 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -86.9 133.91 33.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.061 0.457 . . . . 0.0 111.838 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.401 ' N ' ' HB2' ' A' ' 59' ' ' GLU . 9.2 p -72.68 171.5 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.38 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 24.5 t -53.89 -49.29 60.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.104 0.478 . . . . 0.0 110.445 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.56 -41.2 98.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.765 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.594 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 1.1 mt-10 -59.61 -45.23 92.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.68 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.748 ' HA ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -60.86 -38.72 86.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.739 0.304 . . . . 0.0 110.231 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 9.5 mttp -58.26 -48.5 80.23 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -67.97 -34.7 77.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.419 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.866 HD13 HG11 ' A' ' 88' ' ' VAL . 31.3 mt -60.28 -51.25 75.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 60' ' ' ARG . 47.9 t -63.11 -44.83 99.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.579 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.19 -43.87 63.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.054 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.8 m -78.9 -51.37 9.77 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 2.6 t -69.63 -47.35 63.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.729 0.299 . . . . 0.0 111.471 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.586 ' NE2' HG11 ' A' ' 15' ' ' VAL . 29.7 m80 -108.29 157.94 17.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.051 0.453 . . . . 0.0 111.517 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.83 91.75 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.573 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.9 110.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.388 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -118.69 -39.17 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.008 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.4 125.98 11.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.818 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt 61.27 160.39 0.11 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.6 143.99 70.71 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.56 2.173 . . . . 0.0 112.301 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -100.49 147.31 26.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.3 p -142.31 -77.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.53 -32.58 11.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.23 172.9 6.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.94 -73.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.38 58.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.57 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -156.6 135.39 11.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.02 -65.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.55 130.89 30.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.987 HD11 HD13 ' A' ' 28' ' ' ILE . 1.5 tp -175.93 37.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.537 ' HB1' ' HD3' ' A' ' 60' ' ' ARG . . . -133.71 -39.81 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.475 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.88 -27.5 62.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.02 108.31 1.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.393 . . . . 0.0 111.127 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.866 HG11 HD13 ' A' ' 63' ' ' ILE . 48.0 t -117.94 119.91 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.607 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 p -92.0 116.72 29.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.062 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.3 mp -100.54 147.4 25.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.562 HD21 HD23 ' A' ' 50' ' ' LEU . 2.4 mp -134.31 157.07 47.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.555 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.1 mmtp -73.15 121.88 20.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.863 0.364 . . . . 0.0 110.717 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.17 -43.18 52.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.518 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.45 -37.8 82.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.466 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -68.22 -49.37 61.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.579 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.3 t -62.3 -50.89 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -38.53 67.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.838 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.629 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.4 mm-40 -63.09 -48.85 76.85 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.267 0.556 . . . . 0.0 110.448 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 50' ' ' LEU . 4.2 mt -62.91 -39.19 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 18.2 mt -65.24 -34.39 78.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.905 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.82 -15.21 59.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.933 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.41 3.95 53.23 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.519 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.629 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 8.4 t30 -104.41 111.24 23.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.494 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 13.9 p-10 -164.41 14.05 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -55.24 -38.14 68.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.796 0.331 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.435 ' HE2' ' CE1' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -68.71 -28.41 66.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.466 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 23.7 m-85 -80.19 -46.12 16.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.408 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -65.15 -14.97 61.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.5 -179.157 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -115.98 23.58 12.11 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.621 ' O ' HG22 ' A' ' 110' ' ' VAL . 12.6 p 42.89 30.68 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.839 0.352 . . . . 0.0 111.546 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 t -84.69 165.96 17.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.6 mm -103.55 -32.8 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.147 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 p -170.24 35.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.4 mmt -81.97 -176.6 6.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.5 ttm -73.49 175.51 6.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -145.41 159.5 42.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.54 175.56 9.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -109.15 -176.7 3.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -158.77 143.0 15.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' O ' ' CZ ' ' A' ' 10' ' ' PHE . 19.5 mmtm -64.65 -17.1 63.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.493 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.4 p -92.79 141.34 28.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.787 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.434 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.16 126.31 22.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.418 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.29 -170.83 28.99 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.854 -1.165 . . . . 0.0 113.004 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -67.74 156.99 35.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -68.85 144.56 96.0 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -179.388 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 13' ' ' LYS . 31.5 Cg_exo -59.71 156.79 35.68 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.264 1.976 . . . . 0.0 111.76 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.857 HG22 ' HG3' ' A' ' 31' ' ' GLU . 13.6 m -72.75 118.23 17.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 CA-C-O 121.22 0.533 . . . . 0.0 111.62 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.58 159.93 17.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.759 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.605 ' HE1' HD21 ' A' ' 90' ' ' LEU . 16.4 p90 -159.26 169.14 24.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.901 0.381 . . . . 0.0 111.292 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.99 128.41 49.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.598 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.495 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.3 mt -109.04 -17.13 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.489 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 11.7 mm-40 -132.47 143.87 50.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -65.07 -11.91 44.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.852 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.17 1.53 31.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.86 26.01 12.28 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.296 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.2 mt-10 -84.97 116.8 23.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.351 . . . . 0.0 110.599 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -110.81 132.32 54.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.223 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 87.0 m-85 -123.47 166.59 15.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.52 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.436 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -131.63 150.89 52.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.305 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.657 HG13 HG23 ' A' ' 15' ' ' VAL . 12.0 mt -78.97 121.84 32.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.008 0.432 . . . . 0.0 110.89 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.84 -32.48 55.36 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.906 -0.588 . . . . 0.0 113.065 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.6 m -60.86 -39.69 90.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.094 0.473 . . . . 0.0 109.926 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.857 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.1 mm-40 -69.82 -43.58 71.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.2 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.627 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.7 t -62.43 -40.91 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.551 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.502 ' HA2' HD13 ' A' ' 43' ' ' LEU . . . -62.25 -50.65 63.02 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 11.1 p30 -66.43 -33.05 74.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.032 0.444 . . . . 0.0 110.252 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 4.4 t80 -59.69 -43.11 94.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.82 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mt -95.13 -4.32 46.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 2.9 tmt_? 68.53 32.18 4.49 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.496 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.791 ' SD ' HD12 ' A' ' 43' ' ' LEU . 33.6 mtp -101.49 126.14 48.24 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.405 ' CZ ' ' HG2' ' A' ' 37' ' ' ARG . 2.1 m-85 -126.73 174.88 8.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.193 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 55.59 44.19 27.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.99 18.83 58.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.446 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -60.27 -34.05 73.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.875 0.369 . . . . 0.0 110.819 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.791 HD12 ' SD ' ' A' ' 38' ' ' MET . 0.6 OUTLIER -64.99 -52.08 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.433 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 11.1 m-85 -65.5 -39.01 91.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.81 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -41.9 98.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.73 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.66 -15.32 52.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.122 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.541 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 68.7 m-85 -133.78 66.74 73.68 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HB2' ' HB ' ' A' ' 110' ' ' VAL . 24.9 Cg_exo -62.77 -30.33 77.92 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.595 2.196 . . . . 0.0 112.632 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.34 3.81 19.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.537 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.566 ' CD1' HD11 ' A' ' 99' ' ' ILE . 9.2 tp -80.04 132.31 35.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.853 0.359 . . . . 0.0 111.277 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.593 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 68.5 t90 -71.19 116.2 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HD3' ' CD2' ' A' ' 44' ' ' TYR . 46.8 ptt85 -139.5 138.71 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.179 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.483 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -154.35 150.29 27.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.163 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 137.98 36.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.413 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.843 ' HB2' HD12 ' A' ' 90' ' ' LEU . . . -87.67 136.3 33.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.467 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.489 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.5 p -71.95 166.25 22.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.421 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.51 -41.25 44.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.009 0.433 . . . . 0.0 110.513 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.35 -43.87 84.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.837 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.93 -44.48 94.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.442 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.669 ' O ' HG23 ' A' ' 64' ' ' VAL . 36.8 mtm-85 -60.99 -40.2 92.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.286 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -57.69 -48.58 79.13 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -67.98 -34.88 77.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.123 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 60' ' ' ARG . 30.0 mt -60.85 -51.3 74.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.972 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 60' ' ' ARG . 23.3 t -61.45 -42.01 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.525 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.38 -45.05 61.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.039 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.2 m -79.24 -51.25 9.73 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.421 ' HG ' ' HD2' ' A' ' 17' ' ' PHE . 8.5 m -61.93 -56.12 22.45 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.668 ' CD2' HG11 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -173.89 -91.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.937 -179.213 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.459 ' HA3' HG12 ' A' ' 64' ' ' VAL . . . 74.72 96.17 0.12 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.98 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.5 -23.51 0.23 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt 62.52 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.0 p -110.54 154.01 24.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.774 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -78.39 113.49 34.54 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -57.16 -162.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.468 2.112 . . . . 0.0 112.295 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -88.46 -65.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 57.8 p -63.51 179.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -112.61 152.46 28.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.48 -45.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 65.33 36.18 7.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.34 131.84 2.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.429 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -96.93 163.32 13.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 t -168.63 37.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.663 ' HB ' HD13 ' A' ' 84' ' ' LEU . 6.1 p -81.0 -41.36 22.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.663 HD13 ' HB ' ' A' ' 83' ' ' THR . 0.0 OUTLIER -167.03 46.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 179.441 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.97 21.74 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.576 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 m -112.1 -39.03 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 p -159.12 111.31 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.6 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' CD ' ' A' ' 60' ' ' ARG . 34.7 t -117.85 128.27 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.343 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.6 p -90.87 129.49 36.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.016 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -104.71 144.55 31.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.079 0.466 . . . . 0.0 111.639 -179.19 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.813 HD12 ' O ' ' A' ' 90' ' ' LEU . 4.6 mp -140.98 150.53 43.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.287 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.593 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 3.6 mmmp? -77.59 122.34 25.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.86 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.49 -32.85 19.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.234 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 82.8 p -63.82 -42.68 97.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.563 ' HB3' HD12 ' A' ' 50' ' ' LEU . 1.2 mm-40 -68.08 -49.39 61.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 110.663 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.666 ' HA ' HD12 ' A' ' 99' ' ' ILE . 3.9 t -62.65 -51.24 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.661 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.02 -38.75 68.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.82 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.647 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.2 mm-40 -63.0 -48.79 77.3 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.223 0.535 . . . . 0.0 110.564 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.2 mt -62.72 -39.35 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 19.1 mt -65.41 -34.28 77.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.055 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.72 -15.34 59.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.853 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.47 3.68 53.2 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.481 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.647 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 9.6 t-20 -104.5 111.13 23.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 8.0 p-10 -165.2 14.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -54.98 -38.57 67.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.83 0.347 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -67.76 -29.44 68.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.691 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.5 m-85 -78.83 -38.49 37.93 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.228 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -76.17 -6.82 53.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.078 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.461 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -115.99 12.87 15.8 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.613 ' O ' HG22 ' A' ' 110' ' ' VAL . 12.4 p 43.65 32.48 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.785 0.326 . . . . 0.0 111.662 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.578 ' O ' HD13 ' A' ' 112' ' ' ILE . 1.6 p -134.73 161.75 34.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.116 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 112' ' ' ILE . 19.4 mm -135.14 30.54 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.0 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.927 -179.88 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 m -95.54 136.9 35.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.7 mtt -115.82 -42.64 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.1 ptt? -76.55 167.4 21.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.9 mtt 59.93 170.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.56 40.03 24.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.073 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mt -106.68 -178.17 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.37 147.4 25.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.25 107.74 18.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.78 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.528 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 4.2 p -151.4 135.56 16.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.703 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.76 126.54 22.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.577 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.09 -170.82 29.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 119.9 -1.143 . . . . 0.0 113.096 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -67.84 156.78 36.33 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -68.7 139.87 91.52 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.399 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' CB ' ' HB3' ' A' ' 31' ' ' GLU . 11.0 Cg_endo -59.55 162.48 15.0 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.383 2.056 . . . . 0.0 112.114 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.8 HG21 HD12 ' A' ' 28' ' ' ILE . 12.9 m -72.34 119.12 18.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 121.453 0.644 . . . . 0.0 112.405 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -115.72 154.33 29.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.28 178.736 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.492 ' HE1' HD21 ' A' ' 90' ' ' LEU . 14.3 p90 -156.7 169.22 25.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.991 0.424 . . . . 0.0 111.663 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.451 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.91 129.96 49.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.216 179.391 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.6 mt -109.64 -18.35 13.5 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 4.8 mm-40 -133.06 145.73 51.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.059 0.457 . . . . 0.0 111.378 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -63.57 -11.88 28.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.043 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -80.9 1.24 31.76 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.63 23.06 22.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.382 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 3.7 mt-10 -80.46 116.72 20.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 0.0 110.606 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.7 m-85 -110.05 134.59 51.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 91.9 m-85 -128.7 166.56 18.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.551 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.426 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.93 146.96 51.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.389 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.8 HD12 HG21 ' A' ' 15' ' ' VAL . 19.0 mt -73.28 121.71 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.652 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.586 ' HA2' HD12 ' A' ' 91' ' ' LEU . . . -54.5 -33.13 53.62 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.13 -0.557 . . . . 0.0 113.163 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.5 p -63.23 -38.56 91.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.125 0.488 . . . . 0.0 110.048 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.737 ' OE1' HG13 ' A' ' 15' ' ' VAL . 3.2 mm-40 -71.73 -43.5 65.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.444 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.831 ' O ' HD12 ' A' ' 36' ' ' LEU . 41.4 t -63.89 -40.74 90.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.073 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.26 -50.45 67.47 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.027 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 19.4 p30 -62.51 -33.21 74.43 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.137 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.528 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 4.7 t80 -61.27 -43.07 99.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.781 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -91.85 -3.49 56.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.892 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.43 29.97 5.53 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.301 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.5 mtt -101.12 126.35 47.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.117 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -126.56 172.5 10.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.123 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? 57.74 44.16 20.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.57 21.5 62.73 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.361 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -61.57 -33.98 74.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.766 0.317 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.742 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.4 tp -64.84 -49.47 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.484 ' HE2' HD21 ' A' ' 91' ' ' LEU . 25.7 m-85 -71.79 -30.45 65.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -41.37 71.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.405 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.455 ' C ' ' HD3' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -81.06 -20.83 40.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.839 179.547 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.622 ' CE1' ' HG2' ' A' ' 108' ' ' LYS . 25.8 m-85 -127.9 62.56 57.34 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.874 ' HG2' HG22 ' A' ' 110' ' ' VAL . 32.9 Cg_exo -62.73 -23.49 74.53 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.41 2.074 . . . . 0.0 112.913 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 p -87.32 8.04 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 99' ' ' ILE . 2.5 tp -89.46 140.13 29.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 111.117 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.678 ' O ' HD23 ' A' ' 91' ' ' LEU . 70.9 t90 -69.92 119.34 13.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.43 138.16 36.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.582 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.561 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.53 157.58 38.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.301 . . . . 0.0 111.307 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -97.4 130.74 44.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.706 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.774 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -82.25 149.09 28.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.437 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 16.8 p -71.89 167.47 19.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.278 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.0 t -53.49 -36.79 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.165 0.507 . . . . 0.0 110.144 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.77 -42.83 73.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.843 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.774 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 35.7 mt-10 -61.31 -45.81 92.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.512 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.809 ' HA ' HD12 ' A' ' 63' ' ' ILE . 8.0 mtm-85 -60.96 -41.94 97.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.423 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -57.72 -45.12 86.21 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -68.24 -34.66 76.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.061 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.859 HD13 HG11 ' A' ' 88' ' ' VAL . 33.8 mt -59.73 -43.57 91.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.603 HG22 HD23 ' A' ' 84' ' ' LEU . 38.7 t -70.86 -49.51 49.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.815 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.32 -45.01 61.83 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 t -76.74 -51.39 11.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.69 -56.18 4.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.656 0.265 . . . . 0.0 111.465 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.521 ' NE2' HG11 ' A' ' 15' ' ' VAL . 31.2 m170 -88.79 177.16 6.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.88 0.371 . . . . 0.0 111.158 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 149.29 -89.36 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.362 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.3 -29.27 7.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.74 -179.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.3 p -111.77 93.2 4.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -149.61 140.59 14.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.783 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.72 -28.37 9.76 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.518 2.145 . . . . 0.0 112.308 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -135.83 138.99 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.5 p -117.18 148.36 41.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.09 -33.44 7.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.0 156.27 22.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -81.79 -45.04 16.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.79 -163.63 11.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -90.63 173.49 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.823 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.31 -40.48 2.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.33 144.78 11.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 64' ' ' VAL . 5.8 tp -177.85 -36.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.55 -13.58 59.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.726 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.36 -39.21 68.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 86.0 p -159.11 122.26 3.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.859 HG11 HD13 ' A' ' 63' ' ' ILE . 30.8 t -130.09 119.8 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.426 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 36.1 p -90.98 134.22 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.073 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.774 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 1.6 mp -114.07 146.41 40.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.998 0.427 . . . . 0.0 111.882 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.843 HD22 HD23 ' A' ' 50' ' ' LEU . 6.6 mt -134.18 154.47 51.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.392 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.544 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.1 mmtp -71.41 121.41 18.53 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.934 0.397 . . . . 0.0 110.946 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -49.16 -53.17 22.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.857 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.6 m -56.76 -34.1 67.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.588 ' OE2' HD12 ' A' ' 50' ' ' LEU . 6.0 mt-10 -68.64 -49.16 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 0.0 110.755 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.675 ' HA ' HD12 ' A' ' 99' ' ' ILE . 12.8 t -63.76 -40.23 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.248 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.1 -44.71 87.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.805 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.0 mm-40 -63.15 -48.05 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.627 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 50' ' ' LEU . 5.0 mt -61.13 -39.04 81.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 15.6 mt -67.32 -35.05 78.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.025 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -77.82 -12.51 59.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.31 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.39 3.55 53.52 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.695 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 22.9 t-20 -104.39 110.86 23.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.583 ' OD2' HG23 ' A' ' 99' ' ' ILE . 7.1 p-10 -169.62 19.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.327 -0.549 . . . . 0.0 112.457 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.75 -33.41 68.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.151 0.501 . . . . 0.0 109.983 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -74.31 -27.76 60.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.736 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.465 ' HB3' HD13 ' A' ' 50' ' ' LEU . 27.4 m-85 -81.92 -32.79 30.72 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.109 0.48 . . . . 0.0 110.524 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.622 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 12.1 mtpt -88.62 -7.58 56.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.258 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.29 23.12 8.71 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.874 HG22 ' HG2' ' A' ' 48' ' ' PRO . 18.6 t 45.72 28.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.777 0.322 . . . . 0.0 111.489 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.8 m -102.39 109.23 20.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 112' ' ' ILE . 6.3 tt -111.72 46.91 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 t -62.95 -44.24 96.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 44.9 mmm -104.07 -40.72 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.4 mtm 60.47 109.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.8 ptm -120.63 108.78 14.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.98 117.91 35.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.992 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.4 mt -123.68 179.45 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.72 -167.17 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.717 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.66 -37.57 3.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.085 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.489 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 4.7 p -131.41 138.5 49.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.71 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.13 126.28 22.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.456 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.47 -170.73 28.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 119.992 -1.099 . . . . 0.0 112.962 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -67.9 156.96 36.01 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -68.79 144.89 96.46 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 120.682 0.277 . . . . 0.0 110.281 -179.33 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.5 Cg_exo -59.94 158.48 29.25 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.395 2.064 . . . . 0.0 112.15 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.808 HG22 ' HG3' ' A' ' 31' ' ' GLU . 17.4 m -72.85 116.99 15.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.639 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -108.75 159.45 16.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.749 179.276 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.756 ' CE1' HD23 ' A' ' 90' ' ' LEU . 26.0 p90 -156.8 166.03 34.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 0.0 111.38 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.93 127.84 49.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.58 179.691 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.752 HD11 HD22 ' A' ' 90' ' ' LEU . 7.9 mt -107.28 -27.12 10.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.028 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.7 143.92 48.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.37 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.25 -12.03 53.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.807 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -81.11 -0.44 40.08 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.28 26.02 8.51 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.239 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.62 116.95 22.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 110.492 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.45 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.5 m-85 -112.16 132.15 55.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.375 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 82.5 m-85 -122.99 166.67 14.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.494 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.413 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -132.2 147.81 52.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.465 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 15' ' ' VAL . 12.6 mt -78.26 122.07 32.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.013 0.435 . . . . 0.0 110.904 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.8 -26.22 39.49 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 115.903 -0.589 . . . . 0.0 113.026 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.426 ' H ' HG22 ' A' ' 28' ' ' ILE . 21.1 p -62.56 -42.96 99.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.242 0.544 . . . . 0.0 109.843 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.808 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.3 mm-40 -71.32 -41.45 69.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.091 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.915 ' O ' HD12 ' A' ' 36' ' ' LEU . 36.0 t -61.76 -40.9 88.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.387 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.88 -50.74 58.98 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.349 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.671 HD22 HG22 ' A' ' 76' ' ' THR . 24.1 p30 -64.95 -32.95 74.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.131 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.494 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.4 t80 -61.62 -42.88 99.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.829 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mt -92.96 -3.91 53.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.969 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.78 30.86 4.67 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.842 0.353 . . . . 0.0 111.319 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.0 mtt -103.28 126.2 50.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.112 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.71 175.04 8.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.168 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 58.53 42.87 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.761 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.5 20.79 52.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -61.6 -33.96 74.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.654 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.2 tp -64.97 -51.98 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.798 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -64.8 -37.13 86.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -39.63 77.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.646 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -82.82 -12.94 57.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.079 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 73.1 m-85 -134.89 63.42 58.08 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.032 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.886 ' HB2' HG22 ' A' ' 110' ' ' VAL . 35.2 Cg_exo -62.34 -31.69 81.53 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.729 2.286 . . . . 0.0 112.757 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -77.34 -5.26 48.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.757 0.313 . . . . 0.0 111.326 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 99' ' ' ILE . 8.8 tp -74.47 134.09 42.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.221 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.599 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 67.9 t90 -70.01 115.06 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.664 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -139.56 138.14 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.721 0.295 . . . . 0.0 110.986 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -154.72 166.06 34.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.005 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.41 142.64 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.555 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 1.066 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -92.29 141.75 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.413 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.55 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.3 p -71.81 166.89 21.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.893 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.9 t -53.32 -39.07 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 110.525 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.77 -42.42 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.124 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 15.8 mt-10 -63.62 -40.7 97.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.814 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.72 ' HA ' HD12 ' A' ' 63' ' ' ILE . 11.1 mtm-85 -63.83 -46.17 86.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.599 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -57.92 -43.36 86.21 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.636 ' HE2' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -68.86 -34.36 75.33 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.139 0.495 . . . . 0.0 110.024 178.497 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' A' ' 60' ' ' ARG . 13.7 mt -59.56 -44.08 92.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.184 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.588 HG22 HD23 ' A' ' 84' ' ' LEU . 40.9 t -67.91 -48.09 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.574 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.97 -37.08 69.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.708 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.6 t -79.04 -50.99 10.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.456 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' HB3' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -79.1 -56.06 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.388 . . . . 0.0 111.306 -179.635 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.512 ' NE2' HG11 ' A' ' 15' ' ' VAL . 27.4 m170 -93.23 177.84 5.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.37 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 123.15 -49.99 0.87 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -26.53 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.95 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.562 ' NZ ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -120.89 141.56 50.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 p -142.21 113.76 7.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -163.79 94.64 1.04 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.99 121.97 8.84 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.5 2.133 . . . . 0.0 112.253 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -166.0 36.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.671 HG22 HD22 ' A' ' 34' ' ' ASN . 21.6 p -107.33 -78.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.032 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -138.4 -46.35 0.51 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.19 164.21 34.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -65.7 130.88 44.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.99 128.96 1.19 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.427 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 82' ' ' THR . 40.3 p90 -172.14 -40.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.448 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 10.6 t -56.66 -34.52 67.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.415 ' O ' HG21 ' A' ' 64' ' ' VAL . 86.7 m -115.67 -75.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.753 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.588 HD23 HG22 ' A' ' 64' ' ' VAL . 6.7 tp 46.9 51.3 12.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.169 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' A' ' 60' ' ' ARG . . . -129.38 37.17 4.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.226 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.7 t -112.06 -39.53 4.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.0 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 63.9 p -159.53 113.05 2.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.671 HG11 HD13 ' A' ' 63' ' ' ILE . 55.3 t -130.12 119.79 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.2 p -91.04 117.7 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.066 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.0 mp -96.95 149.5 21.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.178 0.513 . . . . 0.0 111.565 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -138.57 149.66 45.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.924 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.599 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 6.8 mmtt -71.98 121.96 20.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.078 0.466 . . . . 0.0 110.918 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.07 -32.9 23.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 53.9 p -63.8 -42.63 97.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.517 ' HB3' HD12 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -67.89 -49.39 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.519 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.788 ' HA ' HD12 ' A' ' 99' ' ' ILE . 22.9 t -61.43 -46.59 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.656 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.21 -44.89 75.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.957 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.57 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 8.4 mm-40 -61.15 -48.03 83.46 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.998 0.428 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.2 mt -61.31 -39.14 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 16.1 mt -65.23 -35.75 82.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.955 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.95 -13.41 59.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.158 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.24 3.73 53.88 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.622 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 19.6 t-20 -104.3 111.33 23.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.492 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 6.8 p-10 -166.62 16.71 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.282 -0.567 . . . . 0.0 112.52 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -56.05 -37.71 69.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.877 0.37 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -26.63 64.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.814 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 20.0 m-85 -81.58 -30.54 32.96 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.331 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -85.47 -8.39 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.158 -179.538 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.12 25.14 10.9 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.886 HG22 ' HB2' ' A' ' 48' ' ' PRO . 21.4 t 46.21 34.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 111.565 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.03 99.84 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.04 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.6 tt -116.11 39.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.905 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.0 t -98.8 128.36 44.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.9 mtt -96.61 161.11 14.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.4 mtm -150.55 176.41 11.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.02 -32.65 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.94 146.99 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mt -139.05 140.92 38.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.5 163.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -107.23 6.51 28.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.347 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.458 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 1.7 p -104.6 137.7 42.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.662 0.267 . . . . 0.0 110.696 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.25 126.35 22.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.295 -179.751 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.56 -170.34 28.18 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.801 -1.19 . . . . 0.0 112.854 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -67.36 157.64 33.56 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -68.05 143.63 96.29 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -179.109 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 31.8 Cg_exo -59.4 157.26 31.89 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.227 1.952 . . . . 0.0 111.681 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.876 HG22 ' HG3' ' A' ' 31' ' ' GLU . 11.4 m -72.58 115.68 13.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-O 121.443 0.639 . . . . 0.0 111.85 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -108.74 163.18 13.49 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.462 179.052 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.664 ' CE1' HD23 ' A' ' 90' ' ' LEU . 11.4 p90 -160.2 159.22 31.32 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.532 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 2.9 tt0 -102.38 127.09 49.53 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.215 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.875 HD11 HD22 ' A' ' 90' ' ' LEU . 15.5 mt -91.8 -20.93 20.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.936 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -131.22 143.56 50.67 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.064 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.37 -11.23 59.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.362 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -81.14 3.96 21.71 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -177.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.532 ' HA2' ' OE1' ' A' ' 18' ' ' GLN . . . 103.29 26.04 7.13 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 119.803 -1.189 . . . . 0.0 114.701 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 18' ' ' GLN . 4.3 mm-40 -96.64 115.48 27.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.791 0.796 . . . . 0.0 110.059 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CE1' ' OE1' ' A' ' 18' ' ' GLN . 9.5 m-85 -117.48 136.71 53.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.337 0.589 . . . . 0.0 112.369 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.508 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 81.0 m-85 -125.39 166.43 16.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.845 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.431 ' HE2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -130.96 148.17 52.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.433 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.685 HG13 HG23 ' A' ' 15' ' ' VAL . 5.3 mt -78.07 123.08 34.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.741 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.72 -28.37 46.23 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.123 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.0 t -61.4 -42.23 98.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.13 0.49 . . . . 0.0 109.855 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.876 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -71.76 -40.77 69.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.169 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.888 ' O ' HD12 ' A' ' 36' ' ' LEU . 38.9 t -61.85 -40.57 87.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.205 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.37 -50.7 58.11 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.356 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.9 p30 -65.31 -33.08 75.14 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.503 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -62.92 -42.78 99.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.056 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.888 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -93.75 -3.37 52.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 68.73 30.71 4.79 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.804 0.335 . . . . 0.0 111.57 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.87 126.21 50.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.005 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -126.59 175.08 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.111 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? 60.17 43.09 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 58.42 20.32 44.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.443 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.8 t -59.4 -33.77 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.011 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' A' ' 36' ' ' LEU . 4.1 tp -64.8 -52.11 58.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.627 ' HE2' HD11 ' A' ' 91' ' ' LEU . 26.7 m-85 -70.43 -34.71 72.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.132 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -73.06 -30.91 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -92.16 -14.25 29.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.288 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.494 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 91.6 m-85 -132.53 65.4 74.55 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-O 120.81 0.338 . . . . 0.0 111.043 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.668 ' HG2' HG22 ' A' ' 110' ' ' VAL . 37.9 Cg_exo -60.22 -32.13 93.97 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.771 2.314 . . . . 0.0 112.916 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.18 -14.43 60.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.526 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 99' ' ' ILE . 3.6 tp -67.02 134.31 51.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 111.24 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.577 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.1 t90 -69.9 120.72 16.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.48 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -139.22 138.73 37.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 12.2 mtm180 -150.42 165.9 31.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.086 0.47 . . . . 0.0 111.619 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.72 151.6 19.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.422 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 1.072 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -100.11 127.64 46.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.043 0.449 . . . . 0.0 111.816 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.456 HG23 ' OE1' ' A' ' 59' ' ' GLU . 16.8 p -71.89 171.57 11.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.005 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.577 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 38.8 t -56.06 -39.07 56.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.222 0.534 . . . . 0.0 110.382 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.83 -42.46 73.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.146 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' OE1' HG23 ' A' ' 56' ' ' THR . 7.1 mt-10 -65.22 -40.82 94.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.18 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.75 ' HA ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -66.75 -39.69 88.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.841 -179.61 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -63.81 -41.54 97.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.834 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 9.8 mtpt -68.63 -34.67 76.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.078 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 60' ' ' ARG . 13.3 mt -59.75 -51.21 75.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.109 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.31 -45.94 97.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.547 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.39 -43.85 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.8 m -79.08 -51.27 9.79 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 68' ' ' HIS . 5.9 t -65.0 -56.53 12.61 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.673 ' NE2' HG11 ' A' ' 15' ' ' VAL . 0.0 OUTLIER 173.42 149.91 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.85 0.357 . . . . 0.0 110.988 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.98 107.36 0.32 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.491 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? 61.33 109.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.971 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -127.92 -44.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 p -148.14 124.87 11.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -170.9 132.83 0.91 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.75 -30.31 56.09 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.476 2.117 . . . . 0.0 112.298 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -79.49 145.96 32.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.5 p -78.81 -178.45 6.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -72.4 153.44 41.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -151.86 -59.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.9 m80 -129.53 -47.03 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.07 -86.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -135.04 156.0 49.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 m -125.9 -43.23 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.83 164.3 15.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.502 HD11 HD13 ' A' ' 28' ' ' ILE . 0.6 OUTLIER 60.03 90.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB1' ' CD ' ' A' ' 60' ' ' ARG . . . -178.14 -35.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.409 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -33.92 69.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.907 0.384 . . . . 0.0 110.55 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 p -159.12 106.39 1.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.846 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.606 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 39.9 t -112.16 125.85 69.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.736 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.5 p -90.79 115.46 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.782 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.072 HD11 ' HB2' ' A' ' 55' ' ' ALA . 3.7 mp -96.95 144.87 26.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.036 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.627 HD11 ' HE2' ' A' ' 44' ' ' TYR . 3.6 mp -134.77 149.31 50.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.327 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.577 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 9.8 mmtt -69.07 121.93 17.7 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 110.933 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.33 -32.9 40.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.699 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -64.83 -41.4 95.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.984 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 3.4 mm-40 -66.23 -49.26 67.83 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.071 0.462 . . . . 0.0 110.219 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.592 ' HA ' HD12 ' A' ' 99' ' ' ILE . 22.2 t -62.49 -40.03 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.562 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.36 -45.34 88.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 3.3 mm-40 -62.4 -48.5 79.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.048 0.452 . . . . 0.0 110.628 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.903 HD11 HD11 ' A' ' 50' ' ' LEU . 4.4 mt -61.63 -39.19 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.2 mt -66.21 -35.79 81.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.924 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -13.24 59.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.197 179.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.14 3.77 54.16 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.63 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.493 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 6.6 t30 -104.21 110.96 23.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.496 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 17.4 p-10 -163.98 14.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -53.89 -42.71 68.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.898 0.38 . . . . 0.0 110.983 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -63.15 -30.43 71.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.615 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.5 m-85 -79.79 -45.38 18.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.348 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -67.42 -13.32 61.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.183 -179.572 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.441 ' O ' ' HB ' ' A' ' 110' ' ' VAL . . . -93.79 24.49 4.13 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.668 HG22 ' HG2' ' A' ' 48' ' ' PRO . 99.6 t 69.8 -55.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.907 0.384 . . . . 0.0 111.422 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.71 170.23 16.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 22.3 mt -70.68 -31.42 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.1 p -125.32 123.88 40.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -132.94 139.72 47.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.9 mmt -143.8 -178.62 6.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 tpp 62.69 118.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -172.42 127.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.6 mt -143.33 174.89 10.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.24 -166.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.79 106.99 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.63 HG21 HD22 ' A' ' 100' ' ' LEU . 6.2 p -133.38 165.15 25.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.439 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.438 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.22 126.28 22.76 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.778 -179.363 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.11 -171.08 29.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 119.963 -1.113 . . . . 0.0 113.28 177.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -70.11 156.94 38.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -68.5 143.38 95.28 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.535 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.2 Cg_exo -59.71 156.91 35.01 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.281 1.988 . . . . 0.0 111.947 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.815 HG22 ' HG3' ' A' ' 31' ' ' GLU . 20.6 m -72.77 119.37 19.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-O 121.236 0.541 . . . . 0.0 111.969 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.2 OUTLIER -113.03 154.24 26.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.735 179.087 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 19' ' ' LEU . 19.0 p90 -153.96 169.33 23.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.821 0.343 . . . . 0.0 111.255 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.445 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.62 127.92 49.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.927 HD11 ' CD2' ' A' ' 90' ' ' LEU . 50.2 mt -104.88 -30.71 9.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -119.02 143.96 46.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.081 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.63 -11.93 55.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.779 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -1.23 43.9 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.86 26.06 7.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.27 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -83.96 116.8 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 0.0 110.627 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.5 m-85 -112.09 133.77 54.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.989 0.423 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.622 ' CD2' HD12 ' A' ' 19' ' ' LEU . 76.0 m-85 -123.62 166.77 14.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.589 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.444 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.95 144.32 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.52 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.718 HD12 HG21 ' A' ' 15' ' ' VAL . 15.4 mt -75.25 119.96 23.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.025 0.441 . . . . 0.0 110.989 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.94 -28.43 48.17 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.917 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.453 ' H ' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -62.96 -41.22 99.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.471 . . . . 0.0 110.009 179.23 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.815 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -70.99 -41.05 71.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.907 ' O ' HD12 ' A' ' 36' ' ' LEU . 20.8 t -63.75 -40.88 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.407 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.81 -50.87 60.08 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.261 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.8 p30 -64.61 -33.05 75.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.025 0.44 . . . . 0.0 109.982 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.5 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -60.59 -42.9 97.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.753 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.907 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -95.19 -2.55 49.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.75 29.71 5.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.312 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.8 mmm -101.57 126.3 48.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.044 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.46 174.96 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 59.14 33.82 22.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.788 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.91 20.43 74.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -33.8 69.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.611 ' CD1' HD13 ' A' ' 36' ' ' LEU . 2.8 tp -64.92 -52.07 58.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' HE2' HD11 ' A' ' 91' ' ' LEU . 26.6 m-85 -68.77 -39.09 80.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.957 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -67.23 -31.08 71.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.77 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -91.96 -16.42 26.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.272 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.45 ' CE2' ' HG2' ' A' ' 108' ' ' LYS . 74.7 m-85 -131.63 67.94 80.39 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.995 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.418 ' HB2' ' HB ' ' A' ' 110' ' ' VAL . 25.5 Cg_exo -62.19 -32.3 82.72 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.529 2.153 . . . . 0.0 112.806 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.444 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . 0.5 OUTLIER -72.35 -9.47 58.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.477 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.795 HD11 HD11 ' A' ' 99' ' ' ILE . 2.9 tp -75.67 136.45 40.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.828 0.347 . . . . 0.0 111.078 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.526 ' HB3' ' HG2' ' A' ' 92' ' ' LYS . 77.7 t90 -74.57 122.88 23.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.795 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ptt-85 -139.2 138.74 37.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 111.111 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 6.5 mtm-85 -150.55 166.08 31.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.155 0.502 . . . . 0.0 111.596 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.64 143.13 26.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.461 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 88' ' ' VAL . . . -76.48 126.71 31.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.817 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.5 p -75.54 171.3 14.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.028 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.4 t -55.59 -39.75 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.153 0.502 . . . . 0.0 110.643 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.55 -50.61 43.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.375 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.513 ' OE2' HD13 ' A' ' 19' ' ' LEU . 62.7 mt-10 -56.71 -39.95 74.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.925 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.758 ' NH1' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -60.58 -48.7 80.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.105 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -39.56 75.73 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -68.31 -34.87 76.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.526 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.864 HD13 HG11 ' A' ' 88' ' ' VAL . 20.5 mt -71.04 -26.23 27.07 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.309 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 60' ' ' ARG . 60.6 t -62.63 -50.64 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.265 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.25 -42.86 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.313 0.577 . . . . 0.0 110.255 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.519 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 0.8 OUTLIER -75.01 -12.92 60.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.658 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -53.9 -11.87 0.48 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.51 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' A' ' 67' ' ' SER . 75.4 m80 72.3 176.87 0.26 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.828 0.347 . . . . 0.0 110.999 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.55 -26.12 17.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.401 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -32.88 51.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.951 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -59.62 145.87 43.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.068 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -75.95 129.72 37.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 120.17 21.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.84 -27.66 35.58 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.422 2.081 . . . . 0.0 112.263 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.62 152.94 21.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.8 p -98.12 149.57 22.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.93 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -128.03 130.2 47.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.8 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -86.63 -47.69 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.95 130.87 1.16 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -71.87 144.43 49.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.1 m -108.97 -40.57 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.514 ' C ' HD13 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -164.17 143.22 7.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.742 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.715 HD13 ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -166.16 32.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.144 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.557 ' HB2' HH21 ' A' ' 60' ' ' ARG . . . -98.92 45.3 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 111.619 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -112.04 -39.58 4.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.298 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.85 106.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.924 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.864 HG11 HD13 ' A' ' 63' ' ' ILE . 90.6 t -117.06 119.72 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.465 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.3 p -92.39 133.97 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.927 ' CD2' HD11 ' A' ' 19' ' ' LEU . 1.1 mp -115.69 144.92 43.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.562 HD21 HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.32 158.97 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.04 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.526 ' HG2' ' HB3' ' A' ' 51' ' ' TRP . 4.2 mmmm -76.56 122.42 24.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.736 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -51.32 -36.19 41.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.0 m -64.96 -38.48 91.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.453 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -68.06 -49.34 61.94 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.682 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 99' ' ' ILE . 16.9 t -63.21 -47.95 89.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.636 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -43.68 73.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.713 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -61.08 -48.52 81.32 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 111.078 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 50' ' ' LEU . 5.8 mt -61.6 -39.4 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.065 0.46 . . . . 0.0 109.765 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.63 HD22 HG21 ' A' ' 9' ' ' THR . 29.7 mt -67.72 -33.27 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.092 178.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.87 -14.0 59.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.045 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.49 3.58 53.18 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.621 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.474 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 16.0 t-20 -104.51 110.9 23.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 177.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.486 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 8.4 p-10 -167.69 16.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -58.67 -38.5 78.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -71.01 -21.43 62.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.4 m-85 -84.77 -44.52 13.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.852 0.358 . . . . 0.0 111.56 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -64.84 -21.59 66.82 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.62 -178.753 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.457 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -116.01 27.72 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.581 ' O ' HG22 ' A' ' 110' ' ' VAL . 11.4 p 42.91 30.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.808 0.337 . . . . 0.0 111.508 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -66.9 135.53 53.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 tt -177.19 41.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.85 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.3 t 60.26 173.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -110.41 106.2 15.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 60.91 112.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -163.43 152.82 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.01 176.94 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -149.31 -47.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m -128.02 123.54 34.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -147.57 -42.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.445 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 1.6 p -108.63 155.88 20.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.777 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.22 126.29 22.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.622 -179.636 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.47 -170.76 28.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 119.804 -1.189 . . . . 0.0 113.171 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -67.68 157.21 35.11 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 4.7 tptt -68.44 144.16 96.17 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.9 Cg_exo -59.8 155.32 44.11 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.412 2.075 . . . . 0.0 111.924 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.802 HG22 ' HG3' ' A' ' 31' ' ' GLU . 13.3 m -72.84 117.35 16.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 CA-C-O 121.319 0.581 . . . . 0.0 111.622 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -112.5 149.92 31.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.098 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.721 ' CE2' HD23 ' A' ' 90' ' ' LEU . 15.8 p90 -149.31 168.56 23.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 111.223 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -102.92 127.96 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.368 179.584 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.579 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.2 mt -108.17 -20.52 13.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.538 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 4.4 mm-40 -128.01 143.86 51.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.025 0.44 . . . . 0.0 111.251 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -65.06 -11.99 45.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.92 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -1.15 42.61 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.87 24.65 10.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.361 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -83.75 116.73 22.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 0.0 110.502 179.675 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.462 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.4 m-85 -110.47 130.84 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.287 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CD1' ' CZ3' ' A' ' 51' ' ' TRP . 79.7 m-85 -121.75 166.63 14.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.512 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.481 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -130.86 149.77 52.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.502 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.739 HD12 HG21 ' A' ' 15' ' ' VAL . 17.7 mt -77.19 122.09 31.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.924 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.74 -36.88 60.27 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.911 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.506 ' OG ' HG22 ' A' ' 28' ' ' ILE . 4.4 p -57.19 -38.77 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.12 0.486 . . . . 0.0 110.08 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.802 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.3 mm-40 -70.67 -41.72 71.71 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.094 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.902 ' O ' HD12 ' A' ' 36' ' ' LEU . 31.5 t -62.6 -40.6 88.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.616 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.33 -50.61 58.73 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.568 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 25.8 p30 -65.46 -32.99 74.9 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.249 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.0 t80 -63.12 -42.81 99.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.945 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.902 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -93.38 -3.13 53.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.124 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.63 29.96 5.22 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.622 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.4 mtt -101.16 126.07 47.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -126.81 175.1 8.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 56.73 42.78 26.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.82 19.48 55.68 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -60.25 -33.88 72.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 36' ' ' LEU . 2.0 tp -64.95 -52.08 58.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.733 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.16 -39.0 86.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.77 -40.31 91.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.693 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -83.62 -15.91 47.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 108' ' ' LYS . 89.0 m-85 -134.31 65.56 68.64 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.809 ' HG2' HG22 ' A' ' 110' ' ' VAL . 30.6 Cg_exo -62.36 -32.32 81.31 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.647 2.231 . . . . 0.0 112.72 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' A' ' 107' ' ' TYR . 3.1 t -72.51 -10.07 59.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.686 0.279 . . . . 0.0 111.22 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.68 HD11 HD11 ' A' ' 99' ' ' ILE . 6.3 tp -69.55 128.52 36.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.579 ' CD2' ' HD2' ' A' ' 92' ' ' LYS . 73.3 t90 -69.91 118.91 13.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.646 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.36 143.54 37.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.764 0.316 . . . . 0.0 111.188 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -154.1 166.17 33.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.088 179.661 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.18 153.07 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.839 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -106.83 140.73 39.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.039 0.447 . . . . 0.0 111.776 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.3 p -77.66 171.53 14.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.148 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 36.0 t -60.25 -37.07 72.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.988 0.423 . . . . 0.0 110.686 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.39 -51.17 31.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.01 -46.71 89.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.867 ' HA ' HD12 ' A' ' 63' ' ' ILE . 9.9 ptp180 -60.77 -41.61 95.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -57.93 -43.37 86.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -68.12 -34.58 76.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.17 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.867 HD12 ' HA ' ' A' ' 60' ' ' ARG . 56.9 mt -59.74 -44.64 94.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.826 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.57 HG22 HD23 ' A' ' 84' ' ' LEU . 33.5 t -63.89 -49.67 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.569 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.06 68.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.045 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.3 p -79.09 -51.15 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.859 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 t -75.52 -55.94 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.722 0.296 . . . . 0.0 111.37 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.565 ' NE2' HG11 ' A' ' 15' ' ' VAL . 28.5 m170 -91.51 159.19 16.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.953 0.406 . . . . 0.0 111.261 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 70' ' ' LYS . . . 107.73 150.64 16.09 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.505 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 69' ' ' GLY . 16.3 mmtm 63.92 11.7 6.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.627 0.251 . . . . 0.0 111.629 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -83.58 152.34 24.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.797 0.332 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.0 p -104.17 107.27 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -168.64 96.9 0.55 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -50.98 -24.38 13.9 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.538 2.159 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -68.03 -63.08 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 p -74.83 -33.97 62.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.054 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm 62.58 176.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -150.51 110.0 4.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -149.52 -48.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.72 118.67 0.84 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -97.59 141.07 31.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -146.75 31.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.476 HG22 ' H ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -147.84 -175.8 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.57 HD23 HG22 ' A' ' 64' ' ' VAL . 0.7 OUTLIER 60.71 28.6 18.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.015 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.01 30.58 5.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.263 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.7 m -112.01 -39.23 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.441 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.3 107.49 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.593 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 63' ' ' ILE . 23.2 t -112.14 119.7 60.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.18 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 66.2 p -90.91 119.17 30.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.839 HD11 ' HB2' ' A' ' 55' ' ' ALA . 1.9 mp -96.75 144.88 26.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.978 0.418 . . . . 0.0 111.385 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.21 151.53 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.498 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.579 ' HD2' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -69.77 121.6 17.56 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.347 0.594 . . . . 0.0 111.323 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.66 -42.38 56.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.694 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -56.85 -40.25 75.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.048 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.452 ' HG2' ' CE1' ' A' ' 107' ' ' TYR . 15.0 mt-10 -68.22 -49.32 61.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.984 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.575 ' HA ' HD12 ' A' ' 99' ' ' ILE . 10.9 t -60.95 -50.21 81.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.84 -42.14 71.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.63 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.1 OUTLIER -60.91 -48.8 80.17 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.064 0.459 . . . . 0.0 111.038 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.68 HD11 HD11 ' A' ' 50' ' ' LEU . 4.1 mt -62.4 -39.23 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.082 0.468 . . . . 0.0 109.8 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 20.1 mt -66.75 -34.63 78.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.122 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.74 -14.35 59.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.062 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.56 3.61 52.95 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.533 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.469 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 15.5 t-20 -104.22 110.78 23.12 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.498 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 12.2 p-10 -164.36 13.82 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -39.11 65.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -30.06 70.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.644 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.452 ' CE1' ' HG2' ' A' ' 95' ' ' GLU . 24.3 m-85 -80.28 -43.84 20.62 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.322 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -68.44 -11.16 59.31 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.342 -179.329 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -94.44 16.41 15.31 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.809 HG22 ' HG2' ' A' ' 48' ' ' PRO . 39.9 t 60.54 13.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.42 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 110' ' ' VAL . 0.5 OUTLIER 164.96 163.04 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.533 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mt -80.18 -29.58 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.134 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.932 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.7 t -114.05 156.42 24.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 ttt -82.17 134.17 35.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.19 146.27 50.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -136.51 164.42 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.81 92.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mt -132.05 -176.28 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.0 p -159.01 -78.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -124.75 -39.06 2.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.124 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.478 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.2 p -100.32 135.67 41.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -138.61 126.54 22.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.246 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.51 -170.38 28.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 119.763 -1.208 . . . . 0.0 113.01 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -67.54 157.2 34.91 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 4.4 tppp? -68.61 143.28 94.98 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.726 0.298 . . . . 0.0 110.415 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.437 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 31.1 Cg_exo -60.36 162.3 17.8 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.429 2.086 . . . . 0.0 111.906 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.795 HG13 ' CD ' ' A' ' 31' ' ' GLU . 16.2 m -72.9 117.23 16.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 121.331 0.586 . . . . 0.0 112.055 -178.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.482 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.25 153.24 28.71 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.457 179.129 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.578 ' HE1' HD21 ' A' ' 90' ' ' LEU . 22.2 p90 -155.14 169.09 24.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 111.736 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -104.6 127.98 52.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.41 179.566 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.6 mt -108.79 -25.1 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.434 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.19 143.81 47.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 111.181 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.89 -12.11 58.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.659 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.22 -3.28 51.85 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.0 24.11 8.22 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.397 -0.906 . . . . 0.0 113.135 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -80.94 116.78 21.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.4 m-85 -111.36 128.86 56.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.619 ' CB ' HD23 ' A' ' 90' ' ' LEU . 89.7 m-85 -121.39 166.84 13.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.583 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.482 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 4.9 mtm -135.84 149.27 48.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.745 HD12 HG21 ' A' ' 15' ' ' VAL . 12.0 mt -79.25 118.15 26.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 121.119 0.485 . . . . 0.0 111.049 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.87 -24.75 34.97 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.748 -0.66 . . . . 0.0 113.044 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.427 ' H ' HG22 ' A' ' 28' ' ' ILE . 6.0 t -64.15 -43.32 95.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.172 0.51 . . . . 0.0 109.701 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.795 ' CD ' HG13 ' A' ' 15' ' ' VAL . 1.9 mm-40 -70.49 -39.62 74.08 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.948 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.914 ' O ' HD12 ' A' ' 36' ' ' LEU . 39.6 t -63.87 -40.68 89.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.261 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.96 -50.7 61.35 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.234 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.2 p30 -64.48 -33.0 74.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.072 0.463 . . . . 0.0 110.032 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.2 t80 -60.89 -42.78 98.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.85 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.66 -2.75 50.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.988 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.58 30.11 5.25 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.742 0.306 . . . . 0.0 111.407 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.0 126.32 47.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.068 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -126.53 175.02 8.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.123 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 59.41 37.49 23.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.747 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.56 20.59 63.87 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -57.96 -33.97 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.411 ' CD1' HD13 ' A' ' 36' ' ' LEU . 4.2 tp -64.91 -51.08 63.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.513 ' HE2' HD11 ' A' ' 91' ' ' LEU . 23.0 m-85 -69.31 -39.0 78.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.032 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -28.92 65.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -90.34 -24.67 20.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.596 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.8 m-85 -119.43 71.7 13.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.111 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.45 -28.66 78.2 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.866 2.377 . . . . 0.0 112.97 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . 0.4 OUTLIER -85.42 6.42 26.76 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.677 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.596 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 6.2 tp -87.28 130.86 34.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 111.277 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.65 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 68.4 t90 -69.9 119.55 14.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -139.5 138.79 36.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.111 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.65 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -152.28 160.66 43.31 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 111.487 179.334 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.435 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -94.02 131.77 39.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.81 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -80.91 146.74 30.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.011 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.619 HG23 ' OE1' ' A' ' 59' ' ' GLU . 6.8 p -83.01 171.5 13.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.522 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 24.9 t -54.02 -48.48 64.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.19 0.519 . . . . 0.0 110.249 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.83 -40.42 95.25 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.619 ' OE1' HG23 ' A' ' 56' ' ' THR . 34.3 mt-10 -60.92 -46.08 92.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.078 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -60.99 -38.5 86.25 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.541 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.535 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 26.8 mttt -58.82 -49.5 77.49 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 66' ' ' SER . 3.4 mtpm? -68.15 -34.79 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.5 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.786 HD13 HG11 ' A' ' 88' ' ' VAL . 29.5 mt -61.16 -49.81 83.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.321 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.575 HG13 ' HB3' ' A' ' 81' ' ' TYR . 48.8 t -70.86 -49.88 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.7 -45.23 59.86 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.528 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 1.9 t -79.0 -51.23 9.88 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -177.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 17' ' ' PHE . 7.6 t -54.88 -56.66 17.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.591 ' CE1' ' HB ' ' A' ' 15' ' ' VAL . 38.2 m80 -144.42 -175.05 4.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.888 0.375 . . . . 0.0 111.297 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 141.87 -31.93 2.06 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.392 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.05 115.31 30.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -118.1 7.12 12.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.482 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER 63.09 177.99 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.76 0.314 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.482 ' H ' HG22 ' A' ' 72' ' ' THR . 1.5 mmmt 61.97 151.6 0.1 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.27 -179.82 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.561 2.174 . . . . 0.0 112.33 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -152.27 161.83 42.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.6 -37.32 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.046 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -90.34 147.77 23.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.3 30.39 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -106.06 134.96 48.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.45 -64.66 1.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.575 ' HB3' HG13 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -176.28 134.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 82' ' ' THR . 11.4 m -151.4 32.75 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.643 ' HB ' HD13 ' A' ' 84' ' ' LEU . 91.1 m -71.89 -21.84 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.659 HD13 ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -136.63 -111.95 0.19 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.766 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.544 ' H ' HD23 ' A' ' 84' ' ' LEU . . . 76.08 -54.07 0.61 Allowed 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -27.72 63.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.914 0.388 . . . . 0.0 110.605 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.02 105.23 1.75 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.479 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.786 HG11 HD13 ' A' ' 63' ' ' ILE . 18.5 t -111.64 119.76 60.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.193 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 p -92.4 116.2 28.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.2 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.81 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -96.77 144.75 26.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.29 -179.379 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 90' ' ' LEU . 10.3 mp -135.75 157.0 47.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.399 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.519 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 8.8 mmtt -76.6 121.7 23.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.935 0.398 . . . . 0.0 110.672 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.34 -44.19 54.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.504 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 55.0 p -59.02 -37.88 77.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -68.05 -49.25 62.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.526 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.678 ' HA ' HD12 ' A' ' 99' ' ' ILE . 22.0 t -63.11 -39.26 84.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.489 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.14 -46.04 89.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.675 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 13.9 mm-40 -61.72 -48.01 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.082 0.467 . . . . 0.0 110.719 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 96' ' ' VAL . 4.6 mt -61.23 -39.24 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.8 mt -65.24 -35.94 82.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.856 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.88 -13.06 60.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.281 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.32 3.78 53.61 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.7 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 9.0 t30 -104.33 111.12 23.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.1 p-10 -167.7 17.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.46 -34.04 68.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.362 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -25.3 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 26.4 m-85 -82.06 -31.92 30.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.47 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -80.81 -19.8 43.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.436 -178.892 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.401 ' C ' HG12 ' A' ' 110' ' ' VAL . . . -116.12 30.17 7.51 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.577 ' O ' HG22 ' A' ' 110' ' ' VAL . 7.0 p 42.42 61.62 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.99 0.424 . . . . 0.0 111.495 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 t 71.55 153.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.1 mt -88.56 -34.61 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.221 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.3 p -148.99 157.62 43.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.94 31.0 3.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.75 174.5 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.08 -44.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.62 144.36 41.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.33 -44.95 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.9 p -69.71 167.17 17.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -110.9 -26.28 9.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.484 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 1.9 p -109.98 135.77 50.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.858 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.52 126.56 22.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.231 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.66 -170.24 27.95 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.636 -1.269 . . . . 0.0 112.898 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.33 157.02 35.0 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.3 tppp? -68.67 145.14 96.81 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 110.271 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.8 Cg_exo -59.74 158.03 30.24 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.386 2.057 . . . . 0.0 112.097 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.787 HG22 ' HG3' ' A' ' 31' ' ' GLU . 15.2 m -72.95 116.98 15.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.279 0.562 . . . . 0.0 111.635 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -111.33 149.68 30.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.855 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.712 ' CE1' HD23 ' A' ' 90' ' ' LEU . 22.8 p90 -148.05 167.62 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 111.434 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.422 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.89 127.93 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 179.646 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 90' ' ' LEU . 4.7 mt -108.74 -27.11 9.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.266 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -118.76 143.82 46.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.978 0.418 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.73 -12.24 57.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.691 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.29 -1.93 47.03 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.89 25.21 8.13 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.447 -0.882 . . . . 0.0 113.078 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -80.47 116.79 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 110.619 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 7.5 m-85 -111.54 133.91 53.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.508 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 82.6 m-85 -126.18 166.56 16.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.569 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.483 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -132.2 146.28 51.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.504 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.723 HD12 HG21 ' A' ' 15' ' ' VAL . 14.5 mt -76.12 122.72 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.885 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.461 ' H ' HG23 ' A' ' 89' ' ' THR . . . -54.66 -29.4 48.87 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.081 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.3 p -61.6 -41.43 97.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.045 0.45 . . . . 0.0 109.975 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.787 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -71.07 -42.37 69.49 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.235 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.923 ' O ' HD12 ' A' ' 36' ' ' LEU . 23.8 t -62.1 -40.81 88.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.496 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.68 -50.73 59.48 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.3 p30 -65.43 -32.95 74.84 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.201 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.492 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -61.56 -42.89 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.781 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.923 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -93.43 -3.83 52.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.93 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.7 30.8 4.81 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.39 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.7 mmm -101.7 126.04 48.48 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -126.61 174.96 8.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 56.9 43.33 25.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.57 19.18 53.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.462 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.9 t -60.11 -33.7 72.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.771 0.319 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 36' ' ' LEU . 1.8 tp -64.89 -51.63 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' CE2' ' HD2' ' A' ' 52' ' ' ARG . 27.8 m-85 -69.21 -36.65 77.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -34.1 77.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.311 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -92.05 -14.28 29.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.138 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 92.3 m-85 -134.99 59.91 37.25 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.842 ' HG2' HG22 ' A' ' 110' ' ' VAL . 28.0 Cg_exo -62.44 -30.15 79.85 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.387 2.058 . . . . 0.0 112.423 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.9 t -72.14 -15.65 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.244 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.812 HD11 HD11 ' A' ' 99' ' ' ILE . 4.0 tp -67.36 135.84 53.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 111.137 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 70.5 t90 -71.27 119.53 15.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.428 ' HD2' ' CE2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -139.67 138.69 36.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.735 179.492 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.629 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.16 160.13 41.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 111.415 179.544 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.407 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -95.15 130.94 41.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.112 -179.718 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 1.063 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -83.52 145.63 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.568 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.61 HG23 ' OE1' ' A' ' 59' ' ' GLU . 13.9 p -72.15 171.63 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.241 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 23.7 t -59.63 -37.29 69.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.998 0.428 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -70.21 -50.87 35.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.35 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.61 ' OE1' HG23 ' A' ' 56' ' ' THR . 10.1 mt-10 -60.17 -46.74 88.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.013 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.832 ' HA ' HD12 ' A' ' 63' ' ' ILE . 9.4 ptp180 -60.71 -41.89 96.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.466 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -42.06 84.8 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -34.74 76.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.13 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 60' ' ' ARG . 68.6 mt -59.5 -42.5 88.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.6 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.952 HG22 HD21 ' A' ' 84' ' ' LEU . 43.9 t -59.77 -49.65 83.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.305 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.6 -44.95 61.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.099 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m -73.73 -51.35 16.83 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.8 t -70.37 -46.06 64.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 111.533 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.558 ' NE2' HG11 ' A' ' 15' ' ' VAL . 27.8 m80 -108.53 135.49 49.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.039 0.447 . . . . 0.0 111.424 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.95 -43.77 0.26 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.659 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -164.72 119.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 0.0 111.017 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -149.06 -46.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -70.91 176.44 4.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.979 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.497 ' H ' HG22 ' A' ' 72' ' ' THR . 10.5 pttm -65.68 147.91 98.45 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.17 59.33 5.92 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.508 2.139 . . . . 0.0 112.323 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -108.32 -41.07 4.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.0 p -99.2 161.17 13.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -121.0 120.61 35.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.1 159.24 17.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -119.98 -46.13 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.85 176.88 16.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.378 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -114.38 168.21 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.91 144.25 31.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.734 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.605 ' C ' HD13 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -99.0 121.73 41.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.008 -179.861 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.952 HD21 HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -163.72 39.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 179.731 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.41 36.71 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.213 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 m -112.06 -39.09 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.575 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.7 p -159.23 109.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.72 HG11 HD13 ' A' ' 63' ' ' ILE . 47.3 t -118.3 119.85 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.906 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 29' ' ' GLY . 3.1 t -95.04 115.31 27.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.545 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.063 HD11 ' HB2' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -96.93 147.9 23.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.003 0.43 . . . . 0.0 111.424 -179.576 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 90' ' ' LEU . 6.4 mp -132.86 157.5 44.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.286 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.551 ' HG2' ' HB3' ' A' ' 51' ' ' TRP . 14.1 mmtm -71.29 122.09 19.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -52.91 -38.34 61.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.973 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 20.9 t -65.05 -35.33 80.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.512 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -67.46 -49.82 61.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.979 0.419 . . . . 0.0 110.498 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.698 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.1 t -64.32 -38.54 82.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.566 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.97 90.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.738 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 2.4 mm-40 -62.47 -48.38 79.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 0.0 110.632 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.812 HD11 HD11 ' A' ' 50' ' ' LEU . 3.5 mt -61.54 -39.34 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.7 mt -66.46 -35.56 80.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.952 178.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -77.81 -13.29 59.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.27 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.18 3.7 54.08 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.623 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 42.7 t30 -104.36 111.05 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 14.3 p-10 -164.87 15.19 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -54.02 -40.44 67.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.949 0.404 . . . . 0.0 111.068 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -65.91 -30.25 70.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.663 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.458 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 21.2 m-85 -79.31 -39.03 33.85 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -75.88 -5.99 48.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.107 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.87 4.79 47.55 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.842 HG22 ' HG2' ' A' ' 48' ' ' PRO . 45.4 t 68.86 2.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.2 t 40.51 77.3 0.06 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 111.657 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.0 mt -109.32 -30.52 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.125 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.866 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.4 p -147.64 100.37 3.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 56.0 mtt -108.56 119.82 40.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.11 109.87 21.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -88.34 121.37 30.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.45 128.04 30.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.48 150.1 49.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.21 172.63 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.79 -28.11 7.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.475 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.0 p -122.89 135.66 54.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.49 126.6 22.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.176 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.52 -170.41 28.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.687 -1.244 . . . . 0.0 112.877 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 -67.41 157.29 34.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HG3' ' HD2' ' A' ' 14' ' ' PRO . 3.4 tppp? -68.39 144.47 96.55 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -179.093 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.404 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 32.1 Cg_exo -59.73 159.32 24.95 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.47 2.114 . . . . 0.0 112.141 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.789 HG22 ' HG3' ' A' ' 31' ' ' GLU . 18.4 m -72.89 117.99 17.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.153 0.502 . . . . 0.0 111.611 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.92 150.81 33.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.098 179.522 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -150.11 169.25 21.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 0.0 111.167 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.83 127.95 49.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.724 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.828 HD11 ' CD2' ' A' ' 90' ' ' LEU . 18.1 mt -106.05 -30.93 8.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.06 143.85 45.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 111.054 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -66.68 -12.16 57.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.709 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.17 -0.01 38.46 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.11 24.93 8.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.398 -0.906 . . . . 0.0 113.107 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -81.92 116.87 21.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.726 0.298 . . . . 0.0 110.547 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.436 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.8 m-85 -112.53 130.96 55.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.966 0.412 . . . . 0.0 111.22 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 89.5 m-85 -123.67 166.52 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.724 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.505 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.52 148.88 52.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.606 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.756 HD12 HG21 ' A' ' 15' ' ' VAL . 19.8 mt -76.98 121.69 29.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.778 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.67 -29.41 48.96 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.196 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.436 ' H ' HG22 ' A' ' 28' ' ' ILE . 45.1 t -62.1 -41.28 98.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.075 0.464 . . . . 0.0 110.034 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.789 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -71.1 -41.86 70.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.173 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.918 ' O ' HD12 ' A' ' 36' ' ' LEU . 14.6 t -62.68 -40.87 90.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.438 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.05 -50.74 60.85 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.299 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 23.5 p30 -65.15 -33.07 75.13 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.118 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.49 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.6 t80 -60.62 -43.01 97.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.889 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.918 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.1 -3.78 50.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.955 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 68.56 31.18 4.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.1 mtt -102.14 126.16 49.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.12 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -126.53 174.73 8.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.177 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 55.99 37.74 29.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.6 22.06 76.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -34.05 75.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.329 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.683 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.7 tp -64.95 -52.2 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -68.02 -38.62 82.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.786 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -66.32 -30.62 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.982 0.42 . . . . 0.0 110.225 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 108' ' ' LYS . 4.7 tpm_? -91.93 -13.65 30.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.032 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.622 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 60.4 m-85 -134.14 63.82 63.22 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.507 ' HB2' HG23 ' A' ' 110' ' ' VAL . 36.0 Cg_exo -60.45 -32.1 93.36 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.777 2.318 . . . . 0.0 113.495 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.17 8.23 18.98 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.79 HD11 HD11 ' A' ' 99' ' ' ILE . 5.2 tp -84.27 139.93 32.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.234 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.608 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.1 t90 -70.33 116.11 10.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -139.57 138.61 36.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.515 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.576 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.11 152.13 30.08 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.504 179.664 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.83 153.08 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.688 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.649 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -93.54 127.02 39.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.613 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' OE1' ' A' ' 59' ' ' GLU . 11.9 p -72.01 171.45 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.042 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.477 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 34.6 t -58.4 -38.12 67.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.964 0.412 . . . . 0.0 110.545 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.17 -45.41 66.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.137 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.542 ' OE1' HG23 ' A' ' 56' ' ' THR . 4.1 mt-10 -61.91 -46.48 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.844 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.811 ' HA ' HD12 ' A' ' 63' ' ' ILE . 3.2 ptt180 -60.78 -42.42 97.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.294 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 1.6 mtpm? -57.77 -41.43 81.97 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -68.23 -34.87 77.02 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.639 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 60' ' ' ARG . 14.0 mt -71.01 -26.31 27.29 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.118 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.211 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 60' ' ' ARG . 59.7 t -61.96 -50.57 79.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.986 0.422 . . . . 0.0 109.948 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.26 -42.28 62.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.225 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.464 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 1.6 t -74.65 -13.13 60.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.696 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.583 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 0.4 OUTLIER -53.85 -11.92 0.48 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -178.611 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.583 ' HB2' ' O ' ' A' ' 67' ' ' SER . 72.9 m80 74.77 143.21 0.07 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.905 0.383 . . . . 0.0 111.094 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 173.79 39.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.97 -35.66 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 134.39 38.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.5 m 61.07 94.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -62.18 111.97 5.54 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.12 161.19 45.49 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.37 2.046 . . . . 0.0 112.278 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.74 93.16 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.7 p -136.56 157.15 47.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -92.74 -33.15 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.67 155.8 44.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -104.6 124.4 49.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -147.53 122.64 1.59 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.379 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.444 ' HB2' HD11 ' A' ' 84' ' ' LEU . 23.3 p90 -133.45 134.88 44.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.0 m -163.99 -43.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.047 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -35.33 80.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.627 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -71.37 -6.9 43.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.674 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.465 ' N ' HD13 ' A' ' 84' ' ' LEU . . . -107.36 29.81 6.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.826 0.346 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -112.02 -37.76 4.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 86.1 p -159.04 110.51 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.49 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 28.0 t -122.44 128.83 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.4 p -90.86 131.85 36.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.907 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.828 ' CD2' HD11 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -113.31 145.0 41.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.396 -179.703 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.577 HD12 ' C ' ' A' ' 90' ' ' LEU . 7.6 mp -134.86 152.73 51.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.586 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.608 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 3.8 mmmp? -76.21 122.4 24.3 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.938 0.399 . . . . 0.0 111.019 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.4 -34.28 23.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.361 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 m -62.53 -42.74 99.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.689 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.453 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 2.4 mm-40 -66.7 -49.34 66.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 99' ' ' ILE . 16.8 t -61.81 -49.56 83.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.076 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.44 -44.06 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.786 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -61.24 -48.44 81.47 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.052 0.453 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.79 HD11 HD11 ' A' ' 50' ' ' LEU . 4.9 mt -61.8 -39.4 83.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 21.7 mt -67.24 -33.54 75.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.872 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -77.78 -13.84 59.77 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.143 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.57 3.91 52.78 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.626 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.484 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 17.4 t-20 -104.04 111.21 23.68 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.77 ' OD2' HG23 ' A' ' 99' ' ' ILE . 3.4 p30 -168.28 20.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.577 ' HA ' ' HE2' ' A' ' 108' ' ' LYS . 2.6 mt-10 -51.67 -47.81 63.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.355 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -9.96 59.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.658 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.3 m-85 -85.84 -46.41 10.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.589 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.25 -6.52 59.28 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.151 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.45 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -103.08 18.54 21.47 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.522 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.607 ' O ' HG22 ' A' ' 110' ' ' VAL . 14.0 p 43.48 38.71 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.891 0.377 . . . . 0.0 111.655 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.52 148.77 23.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.992 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 113' ' ' SER . 7.4 tp -172.65 -41.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.437 ' N ' HG23 ' A' ' 112' ' ' ILE . 2.5 m . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.02 -178.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.76 165.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.6 ptp -110.14 133.59 53.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.4 mtt -113.33 -35.41 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.68 129.99 37.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 6' ' ' LEU . 6.5 mp 60.06 160.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 p -139.89 150.05 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -103.2 -34.68 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 1.5 p -153.04 172.67 16.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -138.14 126.34 22.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.732 179.709 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.15 -171.6 29.89 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 119.983 -1.104 . . . . 0.0 114.377 177.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.86 158.38 20.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.7 -0.75 . . . . 0.0 110.212 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 12.6 tppt? -67.67 134.52 92.5 Favored Pre-proline 0 C--N 1.332 -0.193 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.504 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 39.1 Cg_exo -60.94 156.17 45.58 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.493 2.129 . . . . 0.0 112.082 -179.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.899 HG22 ' HG3' ' A' ' 31' ' ' GLU . 18.6 m -72.86 117.25 16.18 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.187 0.518 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -109.36 158.82 17.53 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.065 179.776 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.721 ' HE1' HD21 ' A' ' 90' ' ' LEU . 17.8 p90 -159.58 168.28 26.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.923 0.392 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.478 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.88 127.98 49.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.227 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.506 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.1 mt -109.03 -21.34 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.387 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -126.4 143.87 51.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.008 0.432 . . . . 0.0 111.115 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.29 -12.02 26.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.007 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.12 2.17 28.59 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.12 11.72 53.86 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 120.424 -0.893 . . . . 0.0 113.228 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.1 tt0 -70.11 116.56 10.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.449 . . . . 0.0 110.66 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -109.77 130.71 55.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.312 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.702 ' HB3' HD23 ' A' ' 90' ' ' LEU . 82.4 m-85 -121.47 166.46 14.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.688 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.521 ' HE2' ' HB ' ' A' ' 96' ' ' VAL . 1.4 mtm -133.07 153.43 51.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.238 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.679 HG13 HG23 ' A' ' 15' ' ' VAL . 12.3 mt -80.4 122.36 35.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.315 0.578 . . . . 0.0 111.258 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.68 -35.25 57.19 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.596 -0.729 . . . . 0.0 113.019 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -58.44 -39.85 80.95 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.234 0.54 . . . . 0.0 109.812 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.899 ' HG3' HG22 ' A' ' 15' ' ' VAL . 4.0 mm-40 -66.99 -42.73 84.54 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.66 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.858 ' O ' HD12 ' A' ' 36' ' ' LEU . 29.9 t -62.43 -40.69 89.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.267 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.78 -50.7 64.68 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.029 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 16.7 p30 -62.73 -32.62 73.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 109.753 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.854 ' CE1' HD22 ' A' ' 100' ' ' LEU . 5.0 t80 -59.64 -42.58 93.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.301 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.858 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -102.18 2.62 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.265 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 68.43 28.45 6.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.396 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.6 mtt -100.99 126.01 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.185 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -126.85 175.01 8.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 56.31 36.56 27.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.005 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.68 20.91 79.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.574 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -60.08 -33.86 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.5 tp -64.92 -51.83 59.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.558 ' HE2' HD11 ' A' ' 91' ' ' LEU . 27.7 m-85 -65.66 -35.59 81.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.01 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.83 -33.81 74.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -92.05 -11.65 35.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.301 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.587 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 64.3 m-85 -134.07 65.22 68.83 Favored Pre-proline 0 CA--C 1.531 0.226 0 CA-C-O 120.769 0.319 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -62.35 -27.26 77.53 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.78 2.32 . . . . 0.0 112.898 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.9 t -86.88 7.99 24.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.644 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.587 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.2 tp -87.38 137.3 32.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.062 0.458 . . . . 0.0 111.438 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CH2' ' CE2' ' A' ' 26' ' ' TYR . 73.0 t90 -69.83 115.89 9.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.543 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 138.59 36.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.847 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.44 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 16.1 ptt180 -154.11 156.81 37.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 111.368 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.14 130.84 36.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.277 179.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.923 ' HB2' HD12 ' A' ' 90' ' ' LEU . . . -79.94 143.14 34.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.492 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 4.8 p -71.86 167.69 19.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.319 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.0 t -53.46 -48.13 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.973 0.416 . . . . 0.0 110.444 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.52 -39.43 93.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.031 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.518 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 12.3 mt-10 -62.85 -42.46 99.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.827 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.797 ' HA ' HD12 ' A' ' 63' ' ' ILE . 7.9 mtm-85 -62.41 -41.92 99.04 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.794 0.331 . . . . 0.0 110.158 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -45.72 86.02 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -67.98 -34.89 77.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.904 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 60' ' ' ARG . 24.2 mt -59.96 -46.26 94.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.674 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.982 HG22 HD23 ' A' ' 84' ' ' LEU . 21.9 t -58.41 -49.71 81.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.5 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.58 -45.04 61.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.061 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.59 -51.17 20.89 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 3.9 t -63.8 -56.09 18.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.646 0.26 . . . . 0.0 111.398 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.891 ' CD2' HG11 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -170.04 -91.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.18 -179.542 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.67 -75.77 1.95 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.575 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.99 118.38 23.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.01 142.88 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 72' ' ' THR . 10.2 t -107.33 65.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -157.26 130.2 4.43 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.81 100.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.382 2.054 . . . . 0.0 112.228 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -150.15 144.14 25.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.1 p 55.69 179.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -110.72 -33.31 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -86.58 132.83 33.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.9 -35.1 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.85 139.52 45.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -81.17 136.78 35.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 t -160.45 31.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.573 ' C ' HD13 ' A' ' 84' ' ' LEU . 9.8 m -118.94 -3.07 10.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.345 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.982 HD23 HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -152.74 33.39 0.49 Allowed 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 111.105 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.16 -16.83 7.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.419 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.4 m -102.15 -32.0 10.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.92 0.391 . . . . 0.0 110.723 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -159.11 108.76 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.685 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.71 HG11 HD13 ' A' ' 63' ' ' ILE . 36.9 t -117.62 128.5 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.276 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.93 119.54 31.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.591 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.923 HD12 ' HB2' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -98.81 144.41 28.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.304 -179.556 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 90' ' ' LEU . 5.2 mp -140.86 156.91 46.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.708 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.503 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 6.2 mmtt -75.06 121.51 22.12 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.015 0.436 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.55 -52.85 27.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.716 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.52 -33.77 64.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.373 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.489 ' HB3' HD11 ' A' ' 50' ' ' LEU . 91.8 mt-10 -68.1 -49.29 62.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.785 0.326 . . . . 0.0 111.007 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.535 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.2 t -61.18 -49.92 82.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.024 0.44 . . . . 0.0 110.314 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -54.83 -39.2 68.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.954 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.575 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 8.1 mm-40 -64.09 -48.82 74.68 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.163 0.506 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.75 HG23 ' OD1' ' A' ' 104' ' ' ASP . 3.4 mt -62.96 -39.43 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.879 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.854 HD22 ' CE1' ' A' ' 35' ' ' TYR . 32.2 mt -67.47 -32.7 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.799 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -77.92 -14.57 59.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.21 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.67 4.05 52.39 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.627 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.575 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 10.7 t-20 -103.95 111.56 24.15 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.75 ' OD1' HG23 ' A' ' 99' ' ' ILE . 3.6 p30 -169.22 19.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.281 -0.567 . . . . 0.0 112.374 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.58 ' HA ' ' HE2' ' A' ' 108' ' ' LYS . 43.3 mt-10 -51.72 -45.19 63.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -74.83 -19.28 60.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.625 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 20.8 m-85 -76.17 -46.14 29.99 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.58 ' HE2' ' HA ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -85.65 -9.52 57.12 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.254 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -94.4 19.82 9.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.452 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.588 ' O ' HG22 ' A' ' 110' ' ' VAL . 13.4 p 43.11 37.02 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-O 120.908 0.385 . . . . 0.0 111.57 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.26 80.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 113' ' ' SER . 1.0 OUTLIER -123.32 -41.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.437 ' N ' HG23 ' A' ' 112' ' ' ILE . 13.0 m . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.11 -39.48 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 110.732 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.35 29.69 5.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.2 mtm 58.09 89.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.5 mtt -107.4 -31.83 8.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.11 133.96 30.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -143.93 -46.88 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.33 140.93 13.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -109.6 -30.63 7.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.688 HG21 ' HA ' ' A' ' 100' ' ' LEU . 1.8 p -103.01 138.9 39.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.654 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.412 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -137.94 127.81 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.668 -179.51 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.0 -178.1 29.31 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.459 -0.877 . . . . 0.0 114.645 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -69.52 158.76 34.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 114.606 -0.797 . . . . 0.0 111.957 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -67.84 142.9 96.03 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.935 -179.627 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 25.9 Cg_exo -63.91 159.74 40.66 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.646 2.23 . . . . 0.0 112.285 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.858 HG22 ' HG3' ' A' ' 31' ' ' GLU . 17.2 m -72.66 116.16 14.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.356 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.98 159.79 16.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.49 -179.62 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.456 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 22.4 p90 -159.83 167.07 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.998 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.93 127.97 49.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.477 179.664 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.694 HD12 HD21 ' A' ' 90' ' ' LEU . 4.5 mt -108.71 -25.42 10.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.56 143.8 48.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.952 0.406 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.55 -12.17 56.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.652 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.36 0.02 39.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.95 26.02 9.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.501 -0.856 . . . . 0.0 113.09 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -82.48 116.68 22.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.774 0.321 . . . . 0.0 110.649 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 7.3 m-85 -110.83 130.96 55.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 89.7 m-85 -123.1 166.51 15.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.716 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.436 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -132.5 149.47 52.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.33 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.678 HD12 HG21 ' A' ' 15' ' ' VAL . 13.3 mt -77.91 123.87 35.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.35 0.595 . . . . 0.0 111.368 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.79 -35.99 59.0 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.981 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.528 ' OG ' HG22 ' A' ' 28' ' ' ILE . 1.3 p -57.91 -39.06 77.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.105 0.478 . . . . 0.0 109.91 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.858 ' HG3' HG22 ' A' ' 15' ' ' VAL . 4.0 mm-40 -68.27 -45.03 74.24 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.896 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 36' ' ' LEU . 35.9 t -60.1 -40.57 83.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.029 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.59 -50.17 69.78 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.804 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.477 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 17.4 p30 -61.68 -32.94 73.15 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.173 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.643 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -59.59 -43.94 93.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.633 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.794 HD13 ' CD1' ' A' ' 43' ' ' LEU . 2.2 mp -98.58 1.26 46.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.618 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.58 26.0 8.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.244 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.409 ' HE3' ' HA ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -100.9 126.19 47.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.399 179.526 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -126.87 174.32 8.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.7 44.67 25.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.048 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.49 19.73 69.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.571 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -66.07 -34.01 77.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.83 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.794 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.8 tp -64.97 -52.04 58.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.41 ' CE1' ' HG2' ' A' ' 52' ' ' ARG . 14.7 m-85 -63.43 -34.24 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -65.79 -39.05 90.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.525 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -83.34 -17.01 43.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 83.2 m-85 -134.05 64.24 65.33 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.602 ' HG2' HG22 ' A' ' 110' ' ' VAL . 36.3 Cg_exo -62.25 -29.18 79.88 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.739 2.292 . . . . 0.0 113.097 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.431 ' HB3' ' HA ' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -76.21 -10.49 59.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.757 0.313 . . . . 0.0 111.218 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' ' 95' ' ' GLU . 7.7 tp -70.0 135.36 49.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.361 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.802 ' O ' HD13 ' A' ' 91' ' ' LEU . 80.7 t90 -69.77 117.82 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.897 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG2' ' CE1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -132.99 138.21 46.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.677 0.275 . . . . 0.0 110.554 179.374 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.47 143.61 21.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 111.392 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.63 134.37 34.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.462 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.798 ' HB2' HD13 ' A' ' 90' ' ' LEU . . . -89.77 148.02 23.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.432 . . . . 0.0 111.635 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.603 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.7 p -71.95 164.09 26.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.257 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.449 ' HA ' ' HD2' ' A' ' 60' ' ' ARG . 21.6 t -53.29 -34.64 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.148 0.499 . . . . 0.0 110.632 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.18 -51.2 33.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.35 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.65 -41.5 86.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.541 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.883 ' HA ' HD12 ' A' ' 63' ' ' ILE . 7.9 mtt180 -61.62 -42.42 98.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.174 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -57.85 -43.46 85.92 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -68.05 -34.66 76.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.176 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 60' ' ' ARG . 44.5 mt -59.57 -47.51 90.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.27 -48.82 86.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.622 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.26 -45.04 61.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.5 m -74.23 -51.22 16.04 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 5.7 t -70.98 -49.49 44.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 0.0 111.584 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.582 ' NE2' HG11 ' A' ' 15' ' ' VAL . 26.1 m80 -105.13 151.78 23.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.046 0.451 . . . . 0.0 111.604 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.61 -43.0 1.35 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.433 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.73 -34.9 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.845 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.73 155.96 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.992 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.6 m 60.11 109.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -149.12 76.07 9.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.22 91.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.495 2.13 . . . . 0.0 112.27 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.42 -77.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.9 p -136.69 175.11 9.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.41 -179.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -122.25 -42.79 2.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.1 m170 60.52 164.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.22 63.8 2.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.55 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.457 ' CE2' HG23 ' A' ' 82' ' ' THR . 31.7 p90 -152.66 -45.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.457 HG23 ' CE2' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -71.5 -35.71 70.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.855 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 86' ' ' THR . 0.8 OUTLIER -115.03 -13.03 11.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.385 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.416 ' O ' HG22 ' A' ' 88' ' ' VAL . 0.9 OUTLIER -85.01 8.36 18.06 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.647 -179.804 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -111.5 -23.58 10.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.705 0.288 . . . . 0.0 111.18 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 83' ' ' THR . 5.8 t -71.96 -33.22 68.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.872 0.368 . . . . 0.0 110.808 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.1 p -154.07 120.34 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 63' ' ' ILE . 23.0 t -129.99 119.75 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 p -92.1 131.36 37.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.58 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -104.53 144.2 32.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.969 0.414 . . . . 0.0 111.494 -179.63 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 51' ' ' TRP . 4.5 mm? -135.95 152.67 51.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.133 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.532 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 8.9 mmmm -76.15 121.8 23.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.662 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -48.87 -48.33 42.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.855 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.467 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 1.5 p -56.5 -37.45 70.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.297 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.591 ' HB3' HD11 ' A' ' 50' ' ' LEU . 5.1 mt-10 -68.05 -49.43 61.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 111.034 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.765 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.8 t -61.15 -47.12 94.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.441 . . . . 0.0 110.47 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.94 -43.48 73.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.958 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.646 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 37.2 mm-40 -61.54 -48.52 80.62 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.048 0.451 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 96' ' ' VAL . 2.6 mt -61.9 -39.69 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.688 ' HA ' HG21 ' A' ' 9' ' ' THR . 19.6 mt -66.86 -33.38 75.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.007 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.57 -14.86 59.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.037 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.35 3.58 53.61 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.631 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.646 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 5.5 t30 -104.44 111.53 24.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 6.5 p-10 -165.81 15.55 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.093 -0.643 . . . . 0.0 112.724 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.61 -36.51 64.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.742 0.306 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -29.61 65.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.473 ' CE1' ' HG2' ' A' ' 95' ' ' GLU . 22.8 m-85 -78.32 -29.58 47.75 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -87.99 -5.72 58.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.058 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -101.68 2.63 38.9 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' A' ' 48' ' ' PRO . 41.4 t 58.85 48.08 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.976 0.417 . . . . 0.0 111.107 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.14 95.2 3.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 112' ' ' ILE . 15.2 mt -102.69 48.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.096 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 t -86.33 125.63 33.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -113.78 100.42 8.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 8.2 ttm -70.18 173.2 6.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -176.02 125.69 0.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.62 97.07 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.087 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.54 32.23 3.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.41 -165.61 1.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -95.23 6.78 48.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.401 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.464 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.9 p -120.73 136.53 54.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.75 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.12 126.52 23.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.332 -179.791 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.57 -170.69 28.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 119.765 -1.207 . . . . 0.0 112.929 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -67.59 157.25 34.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -68.53 142.34 94.13 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.186 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 32.7 Cg_exo -60.09 162.25 17.16 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.316 2.011 . . . . 0.0 111.825 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.9 HG13 ' OE1' ' A' ' 31' ' ' GLU . 19.8 m -74.64 121.67 26.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 121.337 0.589 . . . . 0.0 112.168 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -114.47 153.59 29.69 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.666 179.037 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.461 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 20.3 p90 -153.48 169.19 23.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.979 0.419 . . . . 0.0 111.309 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.459 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.95 128.54 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.457 179.649 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 19' ' ' LEU . 4.7 mt -108.59 -21.25 12.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.428 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 8.2 mm-40 -128.22 143.99 51.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.983 0.42 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.87 -11.99 43.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.834 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -80.99 0.14 36.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.26 21.3 17.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.311 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 2.3 mt-10 -79.81 116.87 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.525 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.459 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -110.86 130.57 55.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.01 0.433 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.498 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 75.5 m-85 -121.16 166.8 13.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.509 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.467 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 5.1 mtm -132.69 151.14 52.05 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.448 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.927 HD13 HD11 ' A' ' 84' ' ' LEU . 12.1 mt -79.0 118.8 27.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.74 -31.44 53.77 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.058 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -60.94 -40.86 94.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.208 0.528 . . . . 0.0 109.904 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.9 ' OE1' HG13 ' A' ' 15' ' ' VAL . 2.6 mm-40 -70.49 -39.23 74.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.96 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.926 ' O ' HD12 ' A' ' 36' ' ' LEU . 23.7 t -64.25 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.289 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.98 -50.77 60.75 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.247 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 23.7 p30 -64.33 -33.04 74.93 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.097 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.5 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -61.4 -42.82 99.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.891 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.926 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.2 -2.72 52.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.027 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 68.57 30.56 5.09 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.484 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.1 mtt -100.98 126.09 47.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.202 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -126.63 175.07 8.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.138 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 57.42 37.8 28.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.46 22.83 68.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.52 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.6 t -61.62 -33.99 74.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.828 0.347 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 tp -64.99 -52.14 57.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.757 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.457 ' HE2' HD11 ' A' ' 91' ' ' LEU . 23.0 m-85 -66.13 -38.91 89.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -68.0 -35.69 78.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -88.02 -13.53 41.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.339 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.528 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 82.2 m-85 -133.81 66.28 72.49 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.79 0.328 . . . . 0.0 111.016 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.431 ' HB2' HG23 ' A' ' 110' ' ' VAL . 24.3 Cg_exo -63.13 -30.27 75.08 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.758 2.305 . . . . 0.0 112.746 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.43 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . 1.3 t -77.71 -3.92 43.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.594 0.235 . . . . 0.0 111.228 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 99' ' ' ILE . 7.0 tp -77.54 139.8 39.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 111.239 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 71.0 t90 -77.14 116.3 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.589 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 4.8 ppt_? -139.25 139.01 37.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.497 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -151.78 166.16 32.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.938 0.399 . . . . 0.0 111.354 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.13 153.03 20.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.432 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 88' ' ' VAL . . . -105.95 131.13 53.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.012 0.434 . . . . 0.0 111.8 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.2 p -72.11 171.53 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.244 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.589 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 20.2 t -59.62 -34.22 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.101 0.476 . . . . 0.0 110.274 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -70.49 -47.3 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.051 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.52 -45.05 92.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.234 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.969 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -62.17 -43.57 98.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.759 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -60.23 -41.19 92.6 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.1 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.489 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 40.1 mttt -68.4 -34.78 76.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.023 178.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.843 HD12 ' HA ' ' A' ' 60' ' ' ARG . 24.9 mt -59.78 -51.25 75.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.147 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.6 t -59.7 -49.12 84.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.73 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.31 -45.06 61.63 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -75.83 -51.27 12.94 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 t -73.18 -51.59 17.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.791 0.329 . . . . 0.0 111.462 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.551 ' NE2' HG11 ' A' ' 15' ' ' VAL . 24.2 m170 -99.95 158.75 15.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.087 0.47 . . . . 0.0 111.516 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.07 -40.1 1.69 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.6 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -31.27 68.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.355 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -110.43 115.34 29.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.6 m -122.49 130.24 52.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -127.93 93.61 39.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.51 119.67 6.69 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.477 2.118 . . . . 0.0 112.342 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -159.08 -56.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.63 -36.28 4.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -145.17 134.9 23.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -70.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -131.81 119.94 21.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.42 127.96 2.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.434 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -104.44 -40.43 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 82' ' ' THR . 89.4 m 52.73 50.79 17.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -163.92 -43.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.927 HD11 HD13 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -91.24 45.83 1.27 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.952 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.969 ' HB1' ' CZ ' ' A' ' 60' ' ' ARG . . . -134.43 -34.54 0.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.641 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.85 -34.46 69.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.813 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.3 p -159.01 108.23 1.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.759 HG11 HD13 ' A' ' 63' ' ' ILE . 38.4 t -112.49 132.95 59.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -90.78 128.47 36.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.428 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.741 ' O ' HD12 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -106.54 144.67 32.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 111.477 -179.505 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 90' ' ' LEU . 5.0 mp -139.42 156.31 47.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.572 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.53 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 7.1 mmtt -78.38 121.17 24.14 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.33 -42.84 53.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.657 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -39.05 89.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.012 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.457 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 6.8 mt-10 -68.66 -49.34 59.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.697 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.741 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.2 t -60.51 -47.59 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.134 0.493 . . . . 0.0 110.047 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.45 -40.84 72.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.78 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.638 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.5 mm-40 -61.61 -48.75 79.51 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.197 0.522 . . . . 0.0 110.461 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.0 mt -61.95 -39.22 82.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.797 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 21.6 mt -66.34 -33.96 76.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.055 178.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -77.8 -14.65 59.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.954 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.47 3.87 53.11 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.584 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.638 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 31.0 t30 -104.3 111.3 23.87 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.504 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 13.4 p-10 -166.11 16.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.12 -39.03 68.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.947 0.403 . . . . 0.0 111.045 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -70.17 -26.82 64.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.1 m-85 -81.4 -40.0 24.12 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.674 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -70.1 -22.67 63.01 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.622 -179.226 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.429 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -109.09 29.73 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.646 ' O ' HG22 ' A' ' 110' ' ' VAL . 14.8 p 42.37 31.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.943 0.401 . . . . 0.0 111.462 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m -95.35 155.83 16.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 32.4 mt -140.82 -45.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.15 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.4 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.906 179.935 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.5 p -118.51 119.25 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.65 114.21 12.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.996 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.3 mmt -96.04 -32.83 12.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.73 111.19 23.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.22 142.96 44.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt -134.34 111.12 9.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.9 m -135.13 168.32 19.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -104.27 5.95 35.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.362 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.496 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.8 p -132.9 137.53 46.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.731 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.31 126.36 22.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.335 -179.709 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.49 -170.75 28.64 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 119.852 -1.166 . . . . 0.0 112.968 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -67.72 156.82 36.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -68.77 142.02 93.26 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.458 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 29.7 Cg_exo -60.07 162.15 17.35 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.298 1.999 . . . . 0.0 111.771 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.893 HG11 ' CD2' ' A' ' 68' ' ' HIS . 29.6 m -74.48 121.08 25.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-O 121.234 0.54 . . . . 0.0 112.384 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -114.84 147.95 39.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.704 179.141 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.7 ' CE2' HD23 ' A' ' 90' ' ' LEU . 19.2 p90 -147.68 169.06 20.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.975 0.416 . . . . 0.0 111.383 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -103.03 127.9 50.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.41 179.572 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.6 mt -109.04 -23.51 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.345 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -121.55 143.75 49.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.938 0.399 . . . . 0.0 110.999 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -12.08 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.775 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.31 -3.64 53.19 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.03 26.05 7.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.0 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.49 116.8 22.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.544 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.8 m-85 -110.35 132.22 54.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.494 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 88.1 m-85 -123.9 166.7 15.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.464 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' MET . . . . . 0.505 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 6.3 mtm -134.15 146.91 50.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.655 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.693 HD12 HG21 ' A' ' 15' ' ' VAL . 14.6 mt -74.84 118.92 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.45 44.07 Favored Glycine 0 C--N 1.332 0.319 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.012 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 28' ' ' ILE . 33.8 t -64.16 -41.91 96.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.202 0.525 . . . . 0.0 109.754 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.796 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.6 mm-40 -69.79 -39.27 76.7 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.117 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.916 ' O ' HD12 ' A' ' 36' ' ' LEU . 19.9 t -66.0 -40.77 88.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.298 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.33 -50.75 63.53 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.107 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.4 p30 -64.22 -33.05 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.043 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.496 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 4.5 t80 -60.27 -42.9 96.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.855 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.916 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.4 mp -94.28 -3.51 50.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.802 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 68.57 31.32 4.79 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.44 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.1 mtp -102.19 126.21 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.027 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -126.55 173.1 9.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.146 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.13 44.37 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.792 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.12 16.92 58.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.404 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.6 t -57.99 -33.8 69.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.829 0.347 . . . . 0.0 110.981 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.623 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.0 tp -64.87 -51.39 62.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.05 -39.01 79.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -32.47 74.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.018 0.437 . . . . 0.0 110.445 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -92.01 -16.52 26.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.11 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 65.3 m-85 -133.68 64.01 66.08 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.041 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.444 ' HB2' HG23 ' A' ' 110' ' ' VAL . 27.5 Cg_exo -61.99 -31.97 84.2 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.661 2.24 . . . . 0.0 112.747 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.8 -9.76 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.847 HD11 HD11 ' A' ' 99' ' ' ILE . 2.9 tp -74.22 133.89 42.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.594 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 63.2 t90 -71.86 120.6 17.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -139.58 138.35 36.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.596 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.4 159.42 41.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.753 0.311 . . . . 0.0 111.356 179.701 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.56 130.88 38.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 1.08 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -76.44 142.68 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.617 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.451 ' N ' ' HB2' ' A' ' 59' ' ' GLU . 7.8 p -71.84 169.5 15.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.391 179.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.84 -49.66 57.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.065 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -33.12 74.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.917 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.494 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 20.7 mt-10 -64.87 -43.57 92.54 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.291 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.766 ' HA ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -62.63 -41.82 99.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.025 179.406 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -57.72 -46.5 84.33 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -34.94 77.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.011 178.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 60' ' ' ARG . 22.1 mt -59.62 -49.75 82.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.731 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 60' ' ' ARG . 24.6 t -58.58 -43.71 87.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.385 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.29 -45.07 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 m -78.93 -51.37 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 8.0 t -59.78 -56.15 25.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.724 0.297 . . . . 0.0 111.323 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.893 ' CD2' HG11 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -176.52 -92.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.224 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.37 53.64 0.42 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt 61.06 109.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -78.33 109.15 12.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.3 p -140.66 153.94 46.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' CB ' ' CD ' ' A' ' 74' ' ' PRO . 0.1 OUTLIER -68.86 -61.13 3.79 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.002 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 73' ' ' LYS . 53.7 Cg_endo -69.68 139.01 39.43 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.489 2.126 . . . . 0.0 112.291 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -148.05 89.37 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.91 -35.63 5.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.92 149.85 23.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -169.09 113.92 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -147.46 -83.29 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.01 2.37 2.95 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.991 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 57.73 164.56 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.838 0.351 . . . . 0.0 111.094 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.3 t -124.01 30.67 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 m -159.14 158.91 33.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.678 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.0 tt 59.64 27.25 16.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.3 21.15 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.357 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.05 -33.29 6.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.87 108.66 2.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.629 HG11 HD13 ' A' ' 63' ' ' ILE . 39.6 t -121.31 119.79 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.987 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.48 114.2 26.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.455 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 1.08 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.0 mp -96.88 148.83 22.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.006 0.432 . . . . 0.0 111.335 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.727 ' CD2' HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -135.18 156.09 49.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.392 179.573 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 5.5 mmtp -70.99 122.04 19.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 0.0 110.722 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -52.58 -38.42 59.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.327 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -64.9 -35.9 82.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.069 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.481 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -67.94 -49.52 61.28 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.067 0.461 . . . . 0.0 110.515 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.633 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.4 t -62.5 -47.61 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.31 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -54.83 -41.48 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.627 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.8 mm-40 -63.08 -48.74 77.35 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.208 0.528 . . . . 0.0 110.499 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.847 HD11 HD11 ' A' ' 50' ' ' LEU . 4.1 mt -61.89 -39.21 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.671 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 18.0 mt -66.06 -34.85 79.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.151 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -14.37 59.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.058 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.46 3.89 53.12 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.427 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 26.2 t-20 -104.19 111.22 23.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.47 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.9 p-10 -166.54 16.65 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -56.49 -34.82 67.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -74.2 -26.35 60.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.481 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 24.7 m-85 -80.82 -38.27 28.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.395 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -72.51 -11.67 60.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.242 -179.318 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.464 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -116.13 23.88 11.84 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.627 ' O ' HG22 ' A' ' 110' ' ' VAL . 13.2 p 43.39 31.36 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.946 0.403 . . . . 0.0 111.655 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 90.3 p -100.68 147.47 25.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.031 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.505 ' O ' HG23 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -162.46 53.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.077 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.875 -179.946 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HD2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD2' ' HD2' ' A' ' 13' ' ' LYS . 31.6 Cg_exo -59.8 160.71 20.49 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.421 2.081 . . . . 0.0 111.995 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.798 HG22 ' HG3' ' A' ' 31' ' ' GLU . 17.8 m -72.85 117.28 16.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-O 121.193 0.52 . . . . 0.0 111.722 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.0 OUTLIER -111.17 150.35 29.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.931 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.741 ' CE2' HD23 ' A' ' 90' ' ' LEU . 20.1 p90 -149.81 168.29 24.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.939 0.399 . . . . 0.0 111.186 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.48 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -102.77 127.95 49.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.265 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.57 HD11 HD22 ' A' ' 90' ' ' LEU . 4.6 mt -108.52 -21.3 12.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.418 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 2.4 mt-10 -128.16 143.97 51.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.001 0.429 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -12.14 28.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.943 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.16 2.37 27.91 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 111.882 0.326 . . . . 0.0 111.882 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.83 10.28 55.4 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.41 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.4 mt-10 -69.63 116.68 10.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.054 0.454 . . . . 0.0 110.604 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.48 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 5.7 m-85 -110.98 134.89 52.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.141 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.484 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 73.4 m-85 -123.96 166.67 15.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.467 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -132.54 147.69 52.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.431 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.767 HD12 HG21 ' A' ' 15' ' ' VAL . 17.6 mt -76.15 120.45 26.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.147 0.499 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.7 -28.81 47.51 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.936 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.441 ' H ' HG22 ' A' ' 28' ' ' ILE . 14.9 m -61.49 -42.2 98.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.081 0.467 . . . . 0.0 109.828 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.798 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.6 mm-40 -69.86 -42.22 73.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.972 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.648 ' O ' HD12 ' A' ' 36' ' ' LEU . 34.1 t -61.4 -40.88 87.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.308 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 43' ' ' LEU . . . -62.43 -50.7 62.19 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.208 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.2 p30 -65.94 -32.8 74.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.988 0.423 . . . . 0.0 110.219 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.487 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.3 t80 -59.83 -43.03 94.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.768 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.648 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mt -95.25 -4.0 46.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 68.45 32.27 4.55 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.42 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.1 126.1 47.77 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -126.49 175.0 8.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.103 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 60.4 36.93 20.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.754 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.83 19.45 67.48 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -33.96 70.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.336 . . . . 0.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -64.87 -48.54 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -72.26 -38.99 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -30.08 66.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.759 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.69 -24.07 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.721 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 69.0 m-85 -122.64 74.03 43.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.929 0.395 . . . . 0.0 111.147 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.69 -32.1 92.78 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.951 2.434 . . . . 0.0 113.362 -179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.61 7.45 29.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.721 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.9 tp -84.07 129.34 34.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 0.0 111.19 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.551 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 68.5 t90 -69.86 116.31 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.841 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.52 138.43 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.698 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.426 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 12.5 ptt180 -154.52 166.1 34.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 111.247 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.96 147.98 22.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.526 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 1.048 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -99.18 142.05 31.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.385 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.1 p -71.97 167.54 19.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.152 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.6 -40.56 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.033 0.444 . . . . 0.0 110.315 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.07 -42.05 81.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.963 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.465 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 36.6 mt-10 -61.36 -45.29 95.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.503 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.697 ' CD ' HG23 ' A' ' 88' ' ' VAL . 6.5 mtm-85 -60.9 -42.32 97.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.388 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -57.58 -46.06 84.46 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 mttm . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.064 178.668 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.697 HG23 ' CD ' ' A' ' 60' ' ' ARG . 31.6 t . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.855 0.36 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.3 p -94.86 119.66 33.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.49 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.048 HD11 ' HB2' ' A' ' 55' ' ' ALA . 1.8 mp -96.78 149.14 22.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 111.289 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.501 HD21 HD23 ' A' ' 50' ' ' LEU . 1.7 mp -136.05 156.77 48.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.545 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.551 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 18.3 mmtt -72.28 122.05 20.45 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 110.704 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -52.88 -38.94 62.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 0.7 OUTLIER -65.02 -35.03 79.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.903 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.49 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -67.92 -49.39 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.015 0.436 . . . . 0.0 110.548 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.647 ' HA ' HD12 ' A' ' 99' ' ' ILE . 25.2 t -63.29 -43.67 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.442 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.2 -44.57 79.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.764 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.1 mm-40 -62.32 -48.37 80.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.053 0.454 . . . . 0.0 110.761 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 50' ' ' LEU . 4.3 mt -61.56 -39.18 82.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 13.6 mt -65.64 -35.79 81.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.843 178.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.81 -13.26 59.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.269 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.29 3.8 53.69 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.604 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 11.4 t30 -104.2 111.23 23.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.48 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 5.3 p-10 -168.31 19.0 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.49 -38.02 73.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.862 0.363 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -74.1 -21.06 60.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.48 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 24.7 m-85 -83.64 -33.13 25.34 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.817 0.341 . . . . 0.0 111.486 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.464 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -78.56 -32.19 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.73 -178.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.882 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.652 0.263 . . . . 0.0 110.294 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 32.2 Cg_exo -59.82 159.34 25.28 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.368 2.045 . . . . 0.0 112.14 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.777 HG22 ' HG3' ' A' ' 31' ' ' GLU . 16.0 m -72.78 116.43 14.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.433 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -112.64 147.88 35.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.043 179.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.62 ' CE2' HD23 ' A' ' 90' ' ' LEU . 16.5 p90 -147.57 167.92 23.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.915 0.388 . . . . 0.0 111.465 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.457 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -102.98 127.97 49.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.239 179.485 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.441 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.6 mt -107.61 -23.44 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.551 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 2.3 mm-40 -125.76 143.94 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.979 0.418 . . . . 0.0 111.318 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.05 -12.11 24.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.951 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -81.1 3.25 24.06 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.94 11.63 54.42 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.368 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -70.07 116.79 10.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.027 0.441 . . . . 0.0 110.7 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.1 m-85 -112.05 134.29 53.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.102 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 78.1 m-85 -125.02 166.55 16.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.663 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.47 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.22 148.71 52.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.44 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.738 HD12 HG21 ' A' ' 15' ' ' VAL . 15.3 mt -78.59 122.25 33.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.091 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.97 -26.66 42.31 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.981 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.471 ' H ' HG22 ' A' ' 28' ' ' ILE . 9.8 p -62.78 -42.21 99.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.15 0.5 . . . . 0.0 109.881 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.777 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.5 mm-40 -71.11 -42.66 68.98 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.007 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.904 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.4 t -61.22 -40.8 87.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.347 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.67 -50.77 59.26 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.287 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.5 p30 -66.43 -33.1 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.261 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.489 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.7 t80 -61.12 -42.87 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.859 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.904 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -94.02 -4.51 49.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.93 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.57 32.47 4.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.504 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.0 mtp -100.99 126.05 47.64 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -126.75 175.0 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.223 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.48 39.49 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.27 19.58 62.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.398 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -60.15 -33.83 72.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.8 tp -65.49 -52.07 55.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.587 ' OH ' HG21 ' A' ' 89' ' ' THR . 25.3 m-85 -68.22 -39.04 82.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.011 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -70.31 -33.93 72.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.642 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -84.94 -17.91 36.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.067 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.58 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.5 m-85 -130.36 68.16 80.93 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.55 -32.31 79.84 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.536 2.158 . . . . 0.0 113.037 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.2 t -78.11 -1.18 31.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.559 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.616 HD11 HD11 ' A' ' 99' ' ' ILE . 9.0 tp -78.12 139.96 39.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.857 0.36 . . . . 0.0 111.185 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.625 ' O ' HD23 ' A' ' 91' ' ' LEU . 70.2 t90 -79.01 117.38 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.63 138.85 36.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.452 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -153.05 146.57 25.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.838 0.351 . . . . 0.0 111.295 179.6 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.94 153.16 41.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.627 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.988 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -105.19 137.06 43.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.53 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.631 HG23 ' OE1' ' A' ' 59' ' ' GLU . 13.2 p -71.99 171.37 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.371 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 31.9 t -61.39 -37.7 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.995 0.426 . . . . 0.0 110.648 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -70.29 -51.01 33.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.612 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.631 ' OE1' HG23 ' A' ' 56' ' ' THR . 69.5 mt-10 -61.28 -46.22 91.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 9.6 ptp180 -60.81 -41.97 96.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -45.0 87.6 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mttp . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.084 178.758 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.728 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 23.4 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.83 0.348 . . . . 0.0 111.272 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.587 HG21 ' OH ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -95.45 125.92 40.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.602 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.988 HD11 ' HB2' ' A' ' 55' ' ' ALA . 3.4 mp -101.85 147.05 26.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.399 . . . . 0.0 111.313 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -135.55 156.53 48.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.753 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.542 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.6 mmtp -74.37 121.13 20.9 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.913 0.387 . . . . 0.0 111.024 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -49.63 -47.04 50.03 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.622 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.2 p -60.66 -37.19 80.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.427 ' OE2' ' CE1' ' A' ' 107' ' ' TYR . 10.3 mt-10 -68.98 -49.21 59.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 110.807 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.693 ' HA ' HD12 ' A' ' 99' ' ' ILE . 17.2 t -61.45 -49.28 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.105 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -55.13 -39.74 69.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.808 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.603 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.8 mm-40 -62.11 -48.55 79.66 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.231 0.538 . . . . 0.0 110.499 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.8 mt -61.89 -39.11 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.733 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 29.1 mt -66.75 -33.66 76.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.026 178.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -77.75 -14.58 59.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.957 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.64 3.81 52.61 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.624 -0.717 . . . . 0.0 112.589 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.603 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 2.0 t30 -104.22 111.43 24.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.485 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 8.0 p-10 -168.64 18.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.93 -37.67 71.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.908 0.385 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.405 ' HE2' ' CD1' ' A' ' 107' ' ' TYR . 9.0 ptmt -74.08 -22.87 59.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.136 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 25.1 m-85 -81.9 -33.13 30.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.492 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -79.18 -30.55 43.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.355 -178.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -178.888 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HD3' ' CD1' ' A' ' 100' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.176 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 26.6 Cg_exo -63.2 159.3 39.9 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.635 2.223 . . . . 0.0 112.116 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.886 HG22 ' HG3' ' A' ' 31' ' ' GLU . 31.0 m -72.72 118.56 18.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.273 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.86 154.88 20.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.698 -179.535 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.576 ' CE2' HD21 ' A' ' 19' ' ' LEU . 17.2 p90 -153.29 169.34 23.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.64 127.98 49.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.769 HD12 ' CD2' ' A' ' 26' ' ' TYR . 68.4 mt -103.53 -31.08 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.048 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.0 147.78 46.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.016 0.436 . . . . 0.0 111.176 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.05 -11.81 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.857 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -81.06 3.53 22.94 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.38 19.47 27.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.36 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.88 117.0 18.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.546 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.419 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.6 m-85 -112.08 132.28 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.349 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.769 ' CD2' HD12 ' A' ' 19' ' ' LEU . 77.8 m-85 -124.03 166.53 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.606 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.423 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.37 148.12 52.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.55 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.697 HG13 HG23 ' A' ' 15' ' ' VAL . 18.5 mt -72.14 121.38 22.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.259 0.552 . . . . 0.0 111.258 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 91' ' ' LEU . . . -54.84 -33.38 56.12 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.784 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -59.8 -40.45 88.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.209 0.528 . . . . 0.0 109.808 179.111 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.886 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.1 mm-40 -66.45 -45.06 81.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.687 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.737 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.8 t -60.48 -40.42 84.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.196 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.56 -50.22 69.14 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.91 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 18.4 p30 -62.7 -32.77 73.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.048 0.451 . . . . 0.0 110.133 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.552 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -59.61 -43.59 93.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.563 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.737 HD12 ' O ' ' A' ' 32' ' ' VAL . 2.4 mp -99.96 1.4 42.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.635 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.01 26.72 7.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.357 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.5 mtt -101.01 125.98 47.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.252 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -126.84 174.75 8.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 55.41 36.49 27.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.51 22.59 78.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.497 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.71 -33.89 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.667 ' CD1' HD13 ' A' ' 36' ' ' LEU . 2.9 tp -64.97 -52.01 58.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' A' ' 91' ' ' LEU . 32.1 m-85 -65.26 -37.42 87.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -65.99 -34.21 77.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -92.43 -11.62 34.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.214 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.542 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 72.8 m-85 -133.03 66.73 76.61 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.69 0.281 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.73 -32.02 78.51 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.506 2.137 . . . . 0.0 112.813 -179.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 107' ' ' TYR . 0.6 OUTLIER -76.51 -1.36 26.91 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.851 HD11 HD11 ' A' ' 99' ' ' ILE . 3.2 tp -82.32 132.94 35.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.586 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.6 t90 -69.98 122.0 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.41 138.79 36.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.883 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.485 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 9.2 mtm180 -151.63 166.21 31.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.158 0.504 . . . . 0.0 111.893 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.75 150.37 21.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.444 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.932 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -83.53 121.88 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.08 0.467 . . . . 0.0 112.166 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 p -71.98 171.88 11.03 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.706 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 21.0 t -55.73 -40.89 63.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.125 0.488 . . . . 0.0 110.794 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -47.11 63.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.301 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.556 ' HG2' HD22 ' A' ' 19' ' ' LEU . 86.4 mt-10 -60.11 -45.25 93.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.077 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.553 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 1.1 ptm180 -60.94 -45.43 94.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.722 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -57.73 -38.38 75.21 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.483 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 6.5 mttt . . . . . 0 N--CA 1.45 -0.425 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.695 177.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.424 ' HB ' ' CB ' ' A' ' 55' ' ' ALA . 3.9 t . . . . . 0 C--O 1.232 0.179 0 CA-C-O 120.819 0.342 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.13 122.48 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.613 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.932 HD11 ' HB2' ' A' ' 55' ' ' ALA . 4.4 mp -108.69 149.03 29.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.558 HD21 HD23 ' A' ' 50' ' ' LEU . 2.6 mp -136.07 156.68 48.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.732 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.586 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 7.6 mmtt -77.13 122.47 25.04 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.889 0.376 . . . . 0.0 110.764 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.25 -32.87 17.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.193 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.29 -42.58 96.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.446 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 2.4 mm-40 -67.13 -49.23 65.59 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.973 0.416 . . . . 0.0 110.602 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.608 ' HA ' HD12 ' A' ' 99' ' ' ILE . 14.7 t -61.44 -50.25 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.605 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -54.8 -39.83 68.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.932 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.646 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.4 mm-40 -62.83 -48.32 79.57 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.217 0.532 . . . . 0.0 110.688 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.851 HD11 HD11 ' A' ' 50' ' ' LEU . 4.3 mt -61.88 -39.41 83.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.761 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.552 HD22 ' CZ ' ' A' ' 35' ' ' TYR . 15.3 mt -65.57 -34.43 78.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.039 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -14.68 59.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.916 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.45 3.76 53.2 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.425 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.646 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 12.4 t30 -104.2 111.31 23.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.521 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 18.2 p-10 -165.84 15.06 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -56.1 -39.22 71.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -68.87 -26.32 65.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.749 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.521 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 18.8 m-85 -82.21 -38.42 24.58 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.561 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -75.13 -17.67 60.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.51 -179.129 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.26 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -178.825 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 4.4 tppp? . . . . . 0 CA--C 1.528 0.127 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 32.0 Cg_exo -59.82 158.27 29.61 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.324 2.016 . . . . 0.0 112.071 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.747 HG22 ' HG3' ' A' ' 31' ' ' GLU . 12.6 m -72.76 119.21 19.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.26 0.552 . . . . 0.0 111.786 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.15 160.3 18.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.933 179.383 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.713 ' CE2' HD23 ' A' ' 90' ' ' LEU . 19.3 p90 -158.81 168.04 27.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.938 0.399 . . . . 0.0 111.291 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.449 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.84 128.01 49.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.507 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.712 HD11 HD22 ' A' ' 90' ' ' LEU . 6.4 mt -107.64 -22.52 12.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.208 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 3.4 mm-40 -127.02 143.92 51.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.956 0.408 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -65.72 -11.87 49.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.739 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -81.1 0.51 35.8 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.37 26.01 9.71 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.239 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 17.1 mm-40 -84.31 116.87 23.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.876 0.338 . . . . 0.0 110.67 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.5 m-85 -111.68 134.12 53.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 111.023 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 88.0 m-85 -124.95 166.52 16.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.482 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.437 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -132.75 147.21 52.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.547 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.694 HD12 HG21 ' A' ' 15' ' ' VAL . 12.3 mt -77.86 121.21 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.109 0.481 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.91 -26.43 41.02 Favored Glycine 0 C--N 1.333 0.372 0 CA-C-N 115.83 -0.623 . . . . 0.0 113.039 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.427 ' H ' HG22 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -63.11 -42.51 99.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.084 0.469 . . . . 0.0 109.899 179.157 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.747 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.8 mm-40 -71.35 -41.45 69.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.071 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.921 ' O ' HD12 ' A' ' 36' ' ' LEU . 32.8 t -62.59 -40.74 89.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.377 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.71 -50.75 59.26 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.357 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.0 p30 -64.97 -32.99 74.98 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.03 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.5 t80 -61.37 -42.95 99.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.768 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.921 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -92.91 -4.13 53.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.945 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 68.75 31.85 4.32 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.547 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.4 mmm -101.61 126.18 48.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.085 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -126.6 174.97 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.126 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.74 33.76 23.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.804 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.13 19.11 79.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.493 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -58.37 -33.82 70.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.769 0.319 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.59 ' CD1' HD13 ' A' ' 36' ' ' LEU . 5.5 tp -64.83 -49.24 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.753 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -71.45 -35.14 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.779 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -34.74 75.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.324 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -86.71 -18.48 31.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.73 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.509 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 99.4 m-85 -135.18 60.73 41.4 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.472 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 21.0 Cg_exo -64.96 -28.16 58.07 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.367 2.045 . . . . 0.0 112.62 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -3.77 45.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 95' ' ' GLU . 7.6 tp -75.55 140.54 42.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.529 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.526 ' CH2' ' CE2' ' A' ' 26' ' ' TYR . 78.0 t90 -69.29 122.29 18.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.767 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.12 138.63 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.783 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.424 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 4.5 mtt-85 -149.69 166.03 30.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.195 0.522 . . . . 0.0 111.639 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.13 151.88 19.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.41 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 1.002 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -107.62 133.74 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.049 0.452 . . . . 0.0 111.715 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 p -71.91 171.38 11.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.445 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.58 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 37.7 t -59.52 -33.45 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.152 0.501 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -70.48 -46.81 63.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.724 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -62.66 -47.83 81.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.96 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.58 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 1.0 OUTLIER -60.77 -39.03 87.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.201 179.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -58.05 -48.17 80.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.304 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.679 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 12.6 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.776 0.322 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.1 p -90.89 114.46 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.232 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.002 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.3 mp -96.91 147.22 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.07 0.462 . . . . 0.0 111.626 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 90' ' ' LEU . 11.0 mp -135.27 156.32 49.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.484 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.508 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 15.6 mmtt -69.99 121.59 17.7 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.867 0.365 . . . . 0.0 110.824 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.89 -50.39 57.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.5 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 98' ' ' GLU . 39.5 p -56.53 -33.91 66.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.078 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.749 ' HB3' HD11 ' A' ' 50' ' ' LEU . 19.4 mt-10 -67.58 -49.47 63.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.921 0.391 . . . . 0.0 110.791 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.734 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.2 t -63.38 -34.8 69.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.314 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -45.1 95.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.326 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 1.7 mt-10 -62.03 -48.29 80.96 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.383 0.611 . . . . 0.0 110.673 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.917 HG23 ' OD2' ' A' ' 104' ' ' ASP . 3.6 mt -61.68 -38.94 81.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.695 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 14.6 mt -65.75 -35.31 80.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.55 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.55 -15.88 58.99 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.209 0.528 . . . . 0.0 109.795 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.89 3.06 52.26 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.57 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 18.5 p-10 -105.15 110.68 23.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.917 ' OD2' HG23 ' A' ' 99' ' ' ILE . 22.5 p30 -160.13 8.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.414 ' HA ' ' HG3' ' A' ' 108' ' ' LYS . 8.8 mt-10 -51.67 -31.91 27.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.688 0.28 . . . . 0.0 111.403 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.44 ' HD2' ' CZ ' ' A' ' 107' ' ' TYR . 1.8 ptpp? -67.97 -33.74 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.481 ' CE2' ' HG2' ' A' ' 95' ' ' GLU . 19.5 m-85 -81.06 -31.08 34.61 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -84.86 -5.83 59.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.736 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.188 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.955 -179.051 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HD2' ' CD1' ' A' ' 100' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.128 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 24.1 Cg_exo -64.43 160.22 40.4 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.596 2.197 . . . . 0.0 112.288 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.88 HG22 ' HG3' ' A' ' 31' ' ' GLU . 26.4 m -72.66 117.8 16.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.271 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.67 156.74 18.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.587 -179.358 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.752 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 24.5 p90 -155.4 166.48 33.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.444 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.85 127.86 49.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.384 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.52 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.5 mt -108.94 -25.72 10.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.171 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -120.1 143.84 47.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.892 0.377 . . . . 0.0 111.013 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -66.69 -12.06 56.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.713 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -81.33 -0.02 39.18 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.1 25.98 9.18 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.432 -0.89 . . . . 0.0 113.135 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -82.32 116.73 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 0.0 110.573 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.444 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 7.1 m-85 -111.0 131.75 54.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.172 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.531 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 88.2 m-85 -124.63 166.5 16.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.662 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.413 ' HE3' ' CE ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -130.99 148.79 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.42 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.667 HG13 HG23 ' A' ' 15' ' ' VAL . 14.4 mt -75.44 123.31 31.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-O 121.333 0.587 . . . . 0.0 111.238 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.9 -29.94 52.12 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.891 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.436 ' H ' HG22 ' A' ' 28' ' ' ILE . 72.7 m -61.88 -41.27 97.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.213 0.53 . . . . 0.0 109.828 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.88 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.1 mm-40 -67.52 -44.68 77.83 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.812 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.824 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.8 t -60.79 -40.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.089 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.22 69.2 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.968 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 18.8 p30 -62.64 -32.88 74.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.424 . . . . 0.0 110.118 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -59.55 -43.51 93.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.474 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.861 HD13 ' CD1' ' A' ' 43' ' ' LEU . 2.7 mp -99.61 1.29 43.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.687 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.73 26.35 9.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.39 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 125.93 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.32 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -126.9 174.43 8.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 54.75 43.4 30.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.967 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.86 21.74 71.56 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.554 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -66.4 -33.78 76.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.821 0.343 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.861 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.5 tp -64.84 -50.71 65.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.761 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.429 ' HE1' HD11 ' A' ' 91' ' ' LEU . 30.0 m-85 -66.36 -36.45 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -37.64 88.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.608 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.36 -12.75 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.167 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.48 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.6 m-85 -135.36 62.76 52.1 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.746 0.308 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.425 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 39.4 Cg_exo -60.5 -31.98 93.09 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.661 2.241 . . . . 0.0 112.913 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -14.88 61.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.453 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.889 HD11 HD11 ' A' ' 99' ' ' ILE . 3.6 tp -67.2 132.97 48.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 111.115 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.603 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 68.1 t90 -69.84 117.3 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.56 138.89 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 6.4 ptt180 -152.84 156.63 39.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.841 0.353 . . . . 0.0 111.208 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.86 153.09 27.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 1.065 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -108.85 135.35 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.03 0.443 . . . . 0.0 111.627 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.712 HG23 ' OE1' ' A' ' 59' ' ' GLU . 6.2 p -74.84 171.42 14.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.807 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 39.5 t -54.3 -49.24 65.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.333 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.09 -38.31 88.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.208 0.528 . . . . 0.0 109.684 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.712 ' OE1' HG23 ' A' ' 56' ' ' THR . 17.7 mt-10 -61.27 -46.92 88.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.758 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.534 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -60.88 -38.4 85.51 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.672 0.272 . . . . 0.0 110.299 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.497 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 10.5 mttp -58.17 -48.71 79.43 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.352 178.926 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.805 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 29.0 t . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.765 0.317 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.7 p -90.85 121.06 32.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.684 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.065 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.2 mp -101.82 146.07 28.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.468 HD21 HD23 ' A' ' 50' ' ' LEU . 3.9 mp -136.49 150.47 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.398 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.603 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 5.5 mmmt -73.67 122.44 22.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.896 0.379 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.83 -34.02 18.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.362 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.4 m -63.1 -42.65 99.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.476 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 1.5 mm-40 -68.01 -49.42 61.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.913 0.387 . . . . 0.0 110.694 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.4 t -61.82 -50.09 81.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.825 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -54.73 -42.18 71.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.741 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.522 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -60.82 -48.54 81.34 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.983 0.42 . . . . 0.0 110.938 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.889 HD11 HD11 ' A' ' 50' ' ' LEU . 4.2 mt -61.97 -39.26 83.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.473 ' CD1' ' HD2' ' A' ' 13' ' ' LYS . 6.5 mt -63.91 -36.97 85.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.094 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -77.38 -14.06 59.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.24 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.33 3.83 53.53 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.557 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.522 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -104.16 110.86 23.21 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 177.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 14.0 p-10 -164.21 15.59 0.05 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.81 -44.1 69.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.999 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -29.44 70.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.552 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 18.4 m-85 -80.24 -43.93 20.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.358 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -69.5 -11.96 61.26 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.135 -179.688 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.209 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.558 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? . . . . . 0 C--O 1.231 0.105 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 27.0 Cg_exo -60.23 162.32 17.38 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.124 1.883 . . . . 0.0 111.679 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.779 HG22 ' HG3' ' A' ' 31' ' ' GLU . 24.3 m -75.86 120.87 26.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.366 0.603 . . . . 0.0 112.282 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -114.03 152.04 31.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.712 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.562 ' HE1' HD21 ' A' ' 90' ' ' LEU . 17.3 p90 -152.41 169.23 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 111.262 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -102.92 128.2 49.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.379 179.691 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.6 mt -109.03 -19.87 13.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.459 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 3.1 mm-40 -129.24 143.96 51.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 111.212 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.56 -12.02 29.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.989 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -81.22 3.08 25.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.3 10.21 56.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.541 -0.838 . . . . 0.0 113.359 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 2.0 tt0 -69.22 116.7 9.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.766 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.469 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 5.4 m-85 -111.32 132.86 54.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.206 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.566 ' CB ' HD23 ' A' ' 90' ' ' LEU . 85.4 m-85 -122.85 166.58 14.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.617 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.495 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 6.3 mtm -133.81 148.28 51.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.452 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.689 HG13 HG23 ' A' ' 15' ' ' VAL . 11.5 mt -75.0 119.29 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.082 0.468 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.61 -32.06 53.36 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.78 -0.646 . . . . 0.0 113.111 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.6 p -62.48 -39.64 94.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.779 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -69.08 -40.49 78.4 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.055 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.916 ' O ' HD12 ' A' ' 36' ' ' LEU . 33.1 t -66.03 -40.76 88.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.472 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.0 -50.75 64.06 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.402 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 9.2 p30 -65.26 -33.07 75.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.031 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.413 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.0 t80 -59.82 -42.78 94.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.719 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.916 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.4 mp -95.27 -3.41 47.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.883 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.61 29.69 5.35 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.289 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -102.28 126.07 49.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.14 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -126.59 175.13 8.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 58.72 42.74 19.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.005 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.37 25.08 62.26 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.426 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -64.99 -33.9 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.697 ' CD1' HD13 ' A' ' 36' ' ' LEU . 1.5 tp -64.81 -45.74 84.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.95 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.549 ' HE2' HD11 ' A' ' 91' ' ' LEU . 25.0 m-85 -70.54 -39.14 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -41.31 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.749 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.411 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -75.19 -28.06 59.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.882 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.56 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 58.9 m-85 -125.56 73.83 68.88 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.69 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -64.39 -29.14 62.87 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.543 2.162 . . . . 0.0 112.277 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.15 -2.65 45.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.435 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.577 ' CD1' HD11 ' A' ' 99' ' ' ILE . 7.3 tp -78.84 131.69 36.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 111.246 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 71.4 t90 -69.97 116.15 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -139.6 138.34 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.697 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.617 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.56 163.31 40.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 111.586 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.26 135.37 38.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.459 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.893 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -83.96 143.48 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.957 0.408 . . . . 0.0 111.644 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.9 p -72.98 168.49 18.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.095 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.7 t -53.64 -39.34 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.181 0.515 . . . . 0.0 110.326 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -68.33 -44.39 75.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.073 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.637 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 26.1 mt-10 -60.51 -44.19 96.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.601 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.725 ' CD ' HG23 ' A' ' 88' ' ' VAL . 7.0 mtm-85 -61.02 -43.54 98.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.436 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -44.52 85.84 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.971 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.725 HG23 ' CD ' ' A' ' 60' ' ' ARG . 33.2 t . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.855 0.36 . . . . 0.0 111.294 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.9 131.39 36.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.307 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.893 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -114.12 145.2 41.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.025 0.44 . . . . 0.0 111.54 -179.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 90' ' ' LEU . 6.4 mp -136.36 154.07 50.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.467 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.583 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 13.7 mmtt -76.31 122.27 24.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 110.792 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.94 -32.84 22.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.98 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 7.6 t -64.19 -42.54 96.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.492 ' HB3' HD12 ' A' ' 50' ' ' LEU . 1.8 mm-40 -67.1 -49.28 65.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.662 ' HA ' HD12 ' A' ' 99' ' ' ILE . 7.1 t -62.82 -40.41 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.886 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.43 -45.62 91.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.723 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.48 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.1 mm-40 -61.41 -48.01 83.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 96' ' ' VAL . 4.2 mt -61.4 -39.28 82.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.974 0.416 . . . . 0.0 109.91 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 12.2 mt -65.4 -35.67 81.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.837 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -77.89 -13.11 59.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.227 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.18 3.86 53.98 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.702 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 55.9 t30 -104.31 111.18 23.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.511 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.8 p-10 -164.87 15.96 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.388 -0.525 . . . . 0.0 112.407 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.51 -43.88 76.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.932 0.396 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -25.38 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 16.9 m-85 -83.75 -46.03 12.69 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.355 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -66.09 -14.58 61.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.373 -179.422 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.164 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.04 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.712 0.291 . . . . 0.0 110.227 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.6 Cg_exo -59.74 156.96 34.9 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.334 2.023 . . . . 0.0 112.069 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.796 HG22 ' HG3' ' A' ' 31' ' ' GLU . 14.2 m -72.87 116.1 14.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.549 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -108.55 155.83 20.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.872 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.743 ' CE2' HD23 ' A' ' 90' ' ' LEU . 26.2 p90 -152.92 167.65 28.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.421 . . . . 0.0 111.45 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -103.06 127.92 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.436 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.692 HD11 HD22 ' A' ' 90' ' ' LEU . 8.1 mt -108.78 -25.95 10.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -120.67 143.88 48.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -66.53 -12.18 56.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.714 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -0.16 39.88 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.58 22.88 10.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.094 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -78.56 116.87 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.547 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 7.1 m-85 -111.6 133.72 53.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.053 0.454 . . . . 0.0 111.03 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 82.1 m-85 -124.84 166.67 15.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.475 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.435 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.62 145.35 51.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.478 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.677 HD12 HG21 ' A' ' 15' ' ' VAL . 13.2 mt -75.46 121.9 28.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.733 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.77 -27.33 43.13 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.035 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.435 ' H ' HG22 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -62.73 -42.31 99.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.17 0.509 . . . . 0.0 109.941 179.156 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.796 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -70.83 -43.27 68.9 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.18 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.891 ' O ' HD12 ' A' ' 36' ' ' LEU . 22.0 t -61.51 -40.67 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.5 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.48 -50.72 60.04 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 20.0 p30 -66.63 -33.03 74.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.002 0.43 . . . . 0.0 110.381 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.463 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.3 t80 -60.89 -42.9 98.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.782 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.891 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.82 -4.1 47.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 68.66 31.1 4.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.527 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.7 mmt -101.35 126.1 48.07 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.77 175.04 8.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.171 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 57.84 44.41 20.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.809 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.28 19.53 46.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -57.42 -33.9 68.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.718 HD11 HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -64.87 -52.06 58.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -68.69 -38.56 80.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -33.57 73.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -88.96 -17.71 28.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.27 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.489 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 89.6 m-85 -131.17 69.36 82.27 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.0 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -62.58 -32.13 79.65 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.645 2.23 . . . . 0.0 112.801 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.69 -5.06 43.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.395 -179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.731 HD11 HD11 ' A' ' 99' ' ' ILE . 4.0 tp -77.03 134.79 38.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 111.083 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.674 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 64.8 t90 -75.93 120.23 20.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.7 138.56 36.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.839 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.674 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.16 158.04 39.76 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 111.495 179.413 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.427 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -85.53 136.7 33.3 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.626 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 1.062 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -86.9 133.91 33.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.061 0.457 . . . . 0.0 111.838 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.401 ' N ' ' HB2' ' A' ' 59' ' ' GLU . 9.2 p -72.68 171.5 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.38 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 24.5 t -53.89 -49.29 60.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.104 0.478 . . . . 0.0 110.445 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.56 -41.2 98.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.765 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.594 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 1.1 mt-10 -59.61 -45.23 92.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.68 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.524 ' HG3' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -60.86 -38.72 86.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.739 0.304 . . . . 0.0 110.231 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.524 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 9.5 mttp -58.26 -48.5 80.23 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 mttt . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.419 178.935 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.809 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 48.0 t . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.822 0.344 . . . . 0.0 110.607 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 p -92.0 116.72 29.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.062 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.3 mp -100.54 147.4 25.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.562 HD21 HD23 ' A' ' 50' ' ' LEU . 2.4 mp -134.31 157.07 47.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.555 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.1 mmtp -73.15 121.88 20.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.863 0.364 . . . . 0.0 110.717 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.17 -43.18 52.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.518 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.45 -37.8 82.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.466 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -68.22 -49.37 61.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.579 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.3 t -62.3 -50.89 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -38.53 67.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.838 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.629 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.4 mm-40 -63.09 -48.85 76.85 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.267 0.556 . . . . 0.0 110.448 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 50' ' ' LEU . 4.2 mt -62.91 -39.19 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 18.2 mt -65.24 -34.39 78.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.905 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.82 -15.21 59.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.933 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.41 3.95 53.23 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.519 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.629 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 8.4 t30 -104.41 111.24 23.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.494 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 13.9 p-10 -164.41 14.05 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -55.24 -38.14 68.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.796 0.331 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.435 ' HE2' ' CE1' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -68.71 -28.41 66.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.466 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 23.7 m-85 -80.19 -46.12 16.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.408 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -65.15 -14.97 61.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.5 -179.157 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.23 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.046 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.093 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 13' ' ' LYS . 31.5 Cg_exo -59.71 156.79 35.68 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.264 1.976 . . . . 0.0 111.76 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.857 HG22 ' HG3' ' A' ' 31' ' ' GLU . 13.6 m -72.75 118.23 17.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 CA-C-O 121.22 0.533 . . . . 0.0 111.62 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.58 159.93 17.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.759 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.605 ' HE1' HD21 ' A' ' 90' ' ' LEU . 16.4 p90 -159.26 169.14 24.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.901 0.381 . . . . 0.0 111.292 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.99 128.41 49.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.598 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.495 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.3 mt -109.04 -17.13 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.489 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 11.7 mm-40 -132.47 143.87 50.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -65.07 -11.91 44.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.852 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.17 1.53 31.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.86 26.01 12.28 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.296 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.2 mt-10 -84.97 116.8 23.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.351 . . . . 0.0 110.599 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -110.81 132.32 54.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.223 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 87.0 m-85 -123.47 166.59 15.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.52 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.436 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -131.63 150.89 52.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.305 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.657 HG13 HG23 ' A' ' 15' ' ' VAL . 12.0 mt -78.97 121.84 32.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.008 0.432 . . . . 0.0 110.89 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.84 -32.48 55.36 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.906 -0.588 . . . . 0.0 113.065 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.6 m -60.86 -39.69 90.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.094 0.473 . . . . 0.0 109.926 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.857 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.1 mm-40 -69.82 -43.58 71.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.2 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.627 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.7 t -62.43 -40.91 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.551 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.502 ' HA2' HD13 ' A' ' 43' ' ' LEU . . . -62.25 -50.65 63.02 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 11.1 p30 -66.43 -33.05 74.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.032 0.444 . . . . 0.0 110.252 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.436 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.4 t80 -59.69 -43.11 94.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.82 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mt -95.13 -4.32 46.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 2.9 tmt_? 68.53 32.18 4.49 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.496 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.791 ' SD ' HD12 ' A' ' 43' ' ' LEU . 33.6 mtp -101.49 126.14 48.24 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.405 ' CZ ' ' HG2' ' A' ' 37' ' ' ARG . 2.1 m-85 -126.73 174.88 8.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.193 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 55.59 44.19 27.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.99 18.83 58.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.446 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -60.27 -34.05 73.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.875 0.369 . . . . 0.0 110.819 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.791 HD12 ' SD ' ' A' ' 38' ' ' MET . 0.6 OUTLIER -64.99 -52.08 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.433 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 11.1 m-85 -65.5 -39.01 91.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.81 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -41.9 98.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.73 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.66 -15.32 52.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.122 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.541 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 68.7 m-85 -133.78 66.74 73.68 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -62.77 -30.33 77.92 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.595 2.196 . . . . 0.0 112.632 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.34 3.81 19.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.537 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.566 ' CD1' HD11 ' A' ' 99' ' ' ILE . 9.2 tp -80.04 132.31 35.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.853 0.359 . . . . 0.0 111.277 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.593 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 68.5 t90 -71.19 116.2 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HD3' ' CD2' ' A' ' 44' ' ' TYR . 46.8 ptt85 -139.5 138.71 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.179 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.483 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -154.35 150.29 27.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.163 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 137.98 36.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.413 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.843 ' HB2' HD12 ' A' ' 90' ' ' LEU . . . -87.67 136.3 33.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.467 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.489 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.5 p -71.95 166.25 22.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.421 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.51 -41.25 44.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.009 0.433 . . . . 0.0 110.513 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.35 -43.87 84.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.837 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.93 -44.48 94.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.442 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.569 ' CD ' HG23 ' A' ' 88' ' ' VAL . 36.8 mtm-85 -60.99 -40.2 92.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.286 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -57.69 -48.58 79.13 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.123 178.687 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' CD ' ' A' ' 60' ' ' ARG . 34.7 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.865 0.364 . . . . 0.0 111.343 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.6 p -90.87 129.49 36.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.016 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -104.71 144.55 31.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.079 0.466 . . . . 0.0 111.639 -179.19 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.813 HD12 ' O ' ' A' ' 90' ' ' LEU . 4.6 mp -140.98 150.53 43.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.287 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.593 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 3.6 mmmp? -77.59 122.34 25.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.86 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.49 -32.85 19.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.234 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 82.8 p -63.82 -42.68 97.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.563 ' HB3' HD12 ' A' ' 50' ' ' LEU . 1.2 mm-40 -68.08 -49.39 61.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 110.663 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.666 ' HA ' HD12 ' A' ' 99' ' ' ILE . 3.9 t -62.65 -51.24 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.661 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.02 -38.75 68.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.82 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.647 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.2 mm-40 -63.0 -48.79 77.3 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.223 0.535 . . . . 0.0 110.564 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.2 mt -62.72 -39.35 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 19.1 mt -65.41 -34.28 77.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.055 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.72 -15.34 59.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.853 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.47 3.68 53.2 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.481 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.647 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 6.8 t30 -104.5 111.13 23.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 8.0 p-10 -165.2 14.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -54.98 -38.57 67.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.83 0.347 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -67.76 -29.44 68.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.691 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.5 m-85 -78.83 -38.49 37.93 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.228 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -76.17 -6.82 53.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.078 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.163 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.306 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.693 0.282 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.432 ' CB ' ' HB3' ' A' ' 31' ' ' GLU . 11.0 Cg_endo -59.55 162.48 15.0 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.383 2.056 . . . . 0.0 112.114 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.8 HG21 HD12 ' A' ' 28' ' ' ILE . 12.9 m -72.34 119.12 18.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 121.453 0.644 . . . . 0.0 112.405 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -115.72 154.33 29.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.28 178.736 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.492 ' HE1' HD21 ' A' ' 90' ' ' LEU . 14.3 p90 -156.7 169.22 25.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.991 0.424 . . . . 0.0 111.663 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.451 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.91 129.96 49.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.216 179.391 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.6 mt -109.64 -18.35 13.5 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 4.8 mm-40 -133.06 145.73 51.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.059 0.457 . . . . 0.0 111.378 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -63.57 -11.88 28.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.043 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -80.9 1.24 31.76 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.63 23.06 22.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.382 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 3.7 mt-10 -80.46 116.72 20.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 0.0 110.606 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.7 m-85 -110.05 134.59 51.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 91.9 m-85 -128.7 166.56 18.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.551 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.426 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.93 146.96 51.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.389 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.8 HD12 HG21 ' A' ' 15' ' ' VAL . 19.0 mt -73.28 121.71 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.652 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.586 ' HA2' HD12 ' A' ' 91' ' ' LEU . . . -54.5 -33.13 53.62 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.13 -0.557 . . . . 0.0 113.163 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.5 p -63.23 -38.56 91.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.125 0.488 . . . . 0.0 110.048 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.737 ' OE1' HG13 ' A' ' 15' ' ' VAL . 3.2 mm-40 -71.73 -43.5 65.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.444 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.831 ' O ' HD12 ' A' ' 36' ' ' LEU . 41.4 t -63.89 -40.74 90.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.073 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.26 -50.45 67.47 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.027 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 19.4 p30 -62.51 -33.21 74.43 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.137 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.485 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.7 t80 -61.27 -43.07 99.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.781 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -91.85 -3.49 56.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.892 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.43 29.97 5.53 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.301 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.5 mtt -101.12 126.35 47.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.117 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -126.56 172.5 10.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.123 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? 57.74 44.16 20.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.57 21.5 62.73 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.361 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -61.57 -33.98 74.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.766 0.317 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.742 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.4 tp -64.84 -49.47 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.484 ' HE2' HD21 ' A' ' 91' ' ' LEU . 25.7 m-85 -71.79 -30.45 65.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -41.37 71.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.405 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.455 ' C ' ' HD3' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -81.06 -20.83 40.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.839 179.547 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.622 ' CE1' ' HG2' ' A' ' 108' ' ' LYS . 25.8 m-85 -127.9 62.56 57.34 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.455 ' HD3' ' C ' ' A' ' 46' ' ' ARG . 32.9 Cg_exo -62.73 -23.49 74.53 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.41 2.074 . . . . 0.0 112.913 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 p -87.32 8.04 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 99' ' ' ILE . 2.5 tp -89.46 140.13 29.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 111.117 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.678 ' O ' HD23 ' A' ' 91' ' ' LEU . 70.9 t90 -69.92 119.34 13.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.43 138.16 36.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.582 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.561 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.53 157.58 38.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.301 . . . . 0.0 111.307 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.414 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -97.4 130.74 44.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.706 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.774 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -82.25 149.09 28.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.437 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 16.8 p -71.89 167.47 19.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.278 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.0 t -53.49 -36.79 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.165 0.507 . . . . 0.0 110.144 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.77 -42.83 73.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.843 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.774 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 35.7 mt-10 -61.31 -45.81 92.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.512 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.681 ' CD ' HG23 ' A' ' 88' ' ' VAL . 8.0 mtm-85 -60.96 -41.94 97.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.423 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -57.72 -45.12 86.21 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mttp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.061 178.84 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.681 HG23 ' CD ' ' A' ' 60' ' ' ARG . 30.8 t . . . . . 0 C--O 1.234 0.252 0 CA-C-O 120.882 0.372 . . . . 0.0 111.426 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 36.1 p -90.98 134.22 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.073 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.774 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 1.6 mp -114.07 146.41 40.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.998 0.427 . . . . 0.0 111.882 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.843 HD22 HD23 ' A' ' 50' ' ' LEU . 6.6 mt -134.18 154.47 51.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.392 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.544 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.1 mmtp -71.41 121.41 18.53 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.934 0.397 . . . . 0.0 110.946 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -49.16 -53.17 22.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.857 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.6 m -56.76 -34.1 67.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.588 ' OE2' HD12 ' A' ' 50' ' ' LEU . 6.0 mt-10 -68.64 -49.16 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 0.0 110.755 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.675 ' HA ' HD12 ' A' ' 99' ' ' ILE . 12.8 t -63.76 -40.23 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.248 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.1 -44.71 87.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.805 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.0 mm-40 -63.15 -48.05 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.627 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 50' ' ' LEU . 5.0 mt -61.13 -39.04 81.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 15.6 mt -67.32 -35.05 78.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.025 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -77.82 -12.51 59.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.31 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.39 3.55 53.52 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.695 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 7.9 t30 -104.39 110.86 23.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.583 ' OD2' HG23 ' A' ' 99' ' ' ILE . 7.1 p-10 -169.62 19.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.327 -0.549 . . . . 0.0 112.457 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.75 -33.41 68.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.151 0.501 . . . . 0.0 109.983 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -74.31 -27.76 60.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.736 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.465 ' HB3' HD13 ' A' ' 50' ' ' LEU . 27.4 m-85 -81.92 -32.79 30.72 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.109 0.48 . . . . 0.0 110.524 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.622 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 12.1 mtpt -88.62 -7.58 56.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.258 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.208 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.28 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.682 0.277 . . . . 0.0 110.281 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.5 Cg_exo -59.94 158.48 29.25 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.395 2.064 . . . . 0.0 112.15 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.808 HG22 ' HG3' ' A' ' 31' ' ' GLU . 17.4 m -72.85 116.99 15.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.639 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -108.75 159.45 16.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.749 179.276 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.756 ' CE1' HD23 ' A' ' 90' ' ' LEU . 26.0 p90 -156.8 166.03 34.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 0.0 111.38 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.93 127.84 49.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.58 179.691 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.752 HD11 HD22 ' A' ' 90' ' ' LEU . 7.9 mt -107.28 -27.12 10.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.028 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.7 143.92 48.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.37 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.25 -12.03 53.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.807 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -81.11 -0.44 40.08 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.28 26.02 8.51 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.239 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.62 116.95 22.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 110.492 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.45 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.5 m-85 -112.16 132.15 55.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.375 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 82.5 m-85 -122.99 166.67 14.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.494 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.413 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -132.2 147.81 52.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.465 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 15' ' ' VAL . 12.6 mt -78.26 122.07 32.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.013 0.435 . . . . 0.0 110.904 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.8 -26.22 39.49 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 115.903 -0.589 . . . . 0.0 113.026 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.426 ' H ' HG22 ' A' ' 28' ' ' ILE . 21.1 p -62.56 -42.96 99.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.242 0.544 . . . . 0.0 109.843 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.808 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.3 mm-40 -71.32 -41.45 69.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.091 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.915 ' O ' HD12 ' A' ' 36' ' ' LEU . 36.0 t -61.76 -40.9 88.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.387 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.88 -50.74 58.98 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.349 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.1 p30 -64.95 -32.95 74.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.131 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.494 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.4 t80 -61.62 -42.88 99.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.829 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mt -92.96 -3.91 53.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.969 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.78 30.86 4.67 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.842 0.353 . . . . 0.0 111.319 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.0 mtt -103.28 126.2 50.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.112 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.71 175.04 8.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.168 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 58.53 42.87 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.761 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.5 20.79 52.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -61.6 -33.96 74.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.654 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.2 tp -64.97 -51.98 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.798 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -64.8 -37.13 86.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -39.63 77.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.646 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -82.82 -12.94 57.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.079 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 73.1 m-85 -134.89 63.42 58.08 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.032 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.43 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 35.2 Cg_exo -62.34 -31.69 81.53 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.729 2.286 . . . . 0.0 112.757 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -77.34 -5.26 48.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.757 0.313 . . . . 0.0 111.326 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 99' ' ' ILE . 8.8 tp -74.47 134.09 42.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.221 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.599 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 67.9 t90 -70.01 115.06 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.664 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -139.56 138.14 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.721 0.295 . . . . 0.0 110.986 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.448 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -154.72 166.06 34.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.005 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.41 142.64 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.555 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 1.066 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -92.29 141.75 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.413 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.55 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.3 p -71.81 166.89 21.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.893 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.9 t -53.32 -39.07 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 110.525 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.77 -42.42 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.124 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 15.8 mt-10 -63.62 -40.7 97.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.814 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.567 ' CD ' HG23 ' A' ' 88' ' ' VAL . 11.1 mtm-85 -63.83 -46.17 86.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.599 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -57.92 -43.36 86.21 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.636 ' HE2' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.455 -0.177 0 CA-C-O 121.139 0.495 . . . . 0.0 110.024 178.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.567 HG23 ' CD ' ' A' ' 60' ' ' ARG . 55.3 t . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.848 0.356 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.2 p -91.04 117.7 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.066 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.0 mp -96.95 149.5 21.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.178 0.513 . . . . 0.0 111.565 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -138.57 149.66 45.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.924 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.599 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 6.8 mmtt -71.98 121.96 20.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.078 0.466 . . . . 0.0 110.918 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.07 -32.9 23.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 53.9 p -63.8 -42.63 97.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.517 ' HB3' HD12 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -67.89 -49.39 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.519 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.788 ' HA ' HD12 ' A' ' 99' ' ' ILE . 22.9 t -61.43 -46.59 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.656 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.21 -44.89 75.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.957 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.57 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 8.4 mm-40 -61.15 -48.03 83.46 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.998 0.428 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.2 mt -61.31 -39.14 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 16.1 mt -65.23 -35.75 82.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.955 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.95 -13.41 59.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.158 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.24 3.73 53.88 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.622 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 5.3 t30 -104.3 111.33 23.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.492 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 6.8 p-10 -166.62 16.71 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.282 -0.567 . . . . 0.0 112.52 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -56.05 -37.71 69.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.877 0.37 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -26.63 64.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.814 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 20.0 m-85 -81.58 -30.54 32.96 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.331 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -85.47 -8.39 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.158 -179.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.151 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.134 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.131 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.421 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 31.8 Cg_exo -59.4 157.26 31.89 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.227 1.952 . . . . 0.0 111.681 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.876 HG22 ' HG3' ' A' ' 31' ' ' GLU . 11.4 m -72.58 115.68 13.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-O 121.443 0.639 . . . . 0.0 111.85 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -108.74 163.18 13.49 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.462 179.052 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.664 ' CE1' HD23 ' A' ' 90' ' ' LEU . 11.4 p90 -160.2 159.22 31.32 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.532 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 2.9 tt0 -102.38 127.09 49.53 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.215 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.875 HD11 HD22 ' A' ' 90' ' ' LEU . 15.5 mt -91.8 -20.93 20.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.936 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -131.22 143.56 50.67 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.064 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.37 -11.23 59.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.362 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -81.14 3.96 21.71 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.532 ' HA2' ' OE1' ' A' ' 18' ' ' GLN . . . 103.29 26.04 7.13 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 119.803 -1.189 . . . . 0.0 114.701 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 18' ' ' GLN . 4.3 mm-40 -96.64 115.48 27.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.791 0.796 . . . . 0.0 110.059 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CE1' ' OE1' ' A' ' 18' ' ' GLN . 9.5 m-85 -117.48 136.71 53.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.337 0.589 . . . . 0.0 112.369 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.508 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 81.0 m-85 -125.39 166.43 16.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.845 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.431 ' HE2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -130.96 148.17 52.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.433 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.685 HG13 HG23 ' A' ' 15' ' ' VAL . 5.3 mt -78.07 123.08 34.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.741 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.72 -28.37 46.23 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.123 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.0 t -61.4 -42.23 98.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.13 0.49 . . . . 0.0 109.855 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.876 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -71.76 -40.77 69.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.169 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.888 ' O ' HD12 ' A' ' 36' ' ' LEU . 38.9 t -61.85 -40.57 87.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.205 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.37 -50.7 58.11 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.356 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.9 p30 -65.31 -33.08 75.14 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.503 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -62.92 -42.78 99.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.056 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.888 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -93.75 -3.37 52.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 68.73 30.71 4.79 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.804 0.335 . . . . 0.0 111.57 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.87 126.21 50.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.005 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -126.59 175.08 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.111 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? 60.17 43.09 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 58.42 20.32 44.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.443 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.8 t -59.4 -33.77 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.011 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' A' ' 36' ' ' LEU . 4.1 tp -64.8 -52.11 58.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.627 ' HE2' HD11 ' A' ' 91' ' ' LEU . 26.7 m-85 -70.43 -34.71 72.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.132 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -73.06 -30.91 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -92.16 -14.25 29.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.288 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.494 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 91.6 m-85 -132.53 65.4 74.55 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-O 120.81 0.338 . . . . 0.0 111.043 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.22 -32.13 93.97 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.771 2.314 . . . . 0.0 112.916 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.18 -14.43 60.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.526 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 99' ' ' ILE . 3.6 tp -67.02 134.31 51.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 111.24 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.577 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.1 t90 -69.9 120.72 16.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.48 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -139.22 138.73 37.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 12.2 mtm180 -150.42 165.9 31.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.086 0.47 . . . . 0.0 111.619 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.72 151.6 19.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.422 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 1.072 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -100.11 127.64 46.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.043 0.449 . . . . 0.0 111.816 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.456 HG23 ' OE1' ' A' ' 59' ' ' GLU . 16.8 p -71.89 171.57 11.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.005 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.577 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 38.8 t -56.06 -39.07 56.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.222 0.534 . . . . 0.0 110.382 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.83 -42.46 73.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.146 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' OE1' HG23 ' A' ' 56' ' ' THR . 7.1 mt-10 -65.22 -40.82 94.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.18 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -66.75 -39.69 88.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.841 -179.61 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -63.81 -41.54 97.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 9.8 mtpt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.078 178.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.606 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 39.9 t . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.769 0.319 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.5 p -90.79 115.46 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.782 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.072 HD11 ' HB2' ' A' ' 55' ' ' ALA . 3.7 mp -96.95 144.87 26.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.036 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.627 HD11 ' HE2' ' A' ' 44' ' ' TYR . 3.6 mp -134.77 149.31 50.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.327 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.577 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 9.8 mmtt -69.07 121.93 17.7 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 110.933 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.33 -32.9 40.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.699 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -64.83 -41.4 95.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.984 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 3.4 mm-40 -66.23 -49.26 67.83 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.071 0.462 . . . . 0.0 110.219 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.592 ' HA ' HD12 ' A' ' 99' ' ' ILE . 22.2 t -62.49 -40.03 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.562 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.36 -45.34 88.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 3.3 mm-40 -62.4 -48.5 79.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.048 0.452 . . . . 0.0 110.628 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.903 HD11 HD11 ' A' ' 50' ' ' LEU . 4.4 mt -61.63 -39.19 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.2 mt -66.21 -35.79 81.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.924 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -13.24 59.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.197 179.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.14 3.77 54.16 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.63 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.493 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 6.6 t30 -104.21 110.96 23.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.496 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 17.4 p-10 -163.98 14.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -53.89 -42.71 68.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.898 0.38 . . . . 0.0 110.983 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -63.15 -30.43 71.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.615 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.5 m-85 -79.79 -45.38 18.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.348 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -67.42 -13.32 61.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.183 -179.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.225 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.56 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.2 Cg_exo -59.71 156.91 35.01 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.281 1.988 . . . . 0.0 111.947 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.815 HG22 ' HG3' ' A' ' 31' ' ' GLU . 20.6 m -72.77 119.37 19.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-O 121.236 0.541 . . . . 0.0 111.969 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.2 OUTLIER -113.03 154.24 26.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.735 179.087 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 19' ' ' LEU . 19.0 p90 -153.96 169.33 23.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.821 0.343 . . . . 0.0 111.255 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.445 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.62 127.92 49.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.927 HD11 ' CD2' ' A' ' 90' ' ' LEU . 50.2 mt -104.88 -30.71 9.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -119.02 143.96 46.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.081 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.63 -11.93 55.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.779 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -1.23 43.9 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.86 26.06 7.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.27 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -83.96 116.8 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 0.0 110.627 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.5 m-85 -112.09 133.77 54.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.989 0.423 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.622 ' CD2' HD12 ' A' ' 19' ' ' LEU . 76.0 m-85 -123.62 166.77 14.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.589 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.444 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.95 144.32 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.52 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.718 HD12 HG21 ' A' ' 15' ' ' VAL . 15.4 mt -75.25 119.96 23.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.025 0.441 . . . . 0.0 110.989 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.94 -28.43 48.17 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.917 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.453 ' H ' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -62.96 -41.22 99.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.471 . . . . 0.0 110.009 179.23 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.815 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -70.99 -41.05 71.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.907 ' O ' HD12 ' A' ' 36' ' ' LEU . 20.8 t -63.75 -40.88 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.407 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.81 -50.87 60.08 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.261 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.8 p30 -64.61 -33.05 75.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.025 0.44 . . . . 0.0 109.982 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.5 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -60.59 -42.9 97.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.753 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.907 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -95.19 -2.55 49.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.75 29.71 5.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.312 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.8 mmm -101.57 126.3 48.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.044 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.46 174.96 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 59.14 33.82 22.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.788 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.91 20.43 74.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -33.8 69.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.611 ' CD1' HD13 ' A' ' 36' ' ' LEU . 2.8 tp -64.92 -52.07 58.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' HE2' HD11 ' A' ' 91' ' ' LEU . 26.6 m-85 -68.77 -39.09 80.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.957 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -67.23 -31.08 71.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.77 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -91.96 -16.42 26.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.272 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.45 ' CE2' ' HG2' ' A' ' 108' ' ' LYS . 74.7 m-85 -131.63 67.94 80.39 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.995 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.19 -32.3 82.72 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.529 2.153 . . . . 0.0 112.806 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.444 ' CB ' ' HA ' ' A' ' 107' ' ' TYR . 0.5 OUTLIER -72.35 -9.47 58.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.477 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.795 HD11 HD11 ' A' ' 99' ' ' ILE . 2.9 tp -75.67 136.45 40.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.828 0.347 . . . . 0.0 111.078 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.526 ' HB3' ' HG2' ' A' ' 92' ' ' LYS . 77.7 t90 -74.57 122.88 23.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.795 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ptt-85 -139.2 138.74 37.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 111.111 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 6.5 mtm-85 -150.55 166.08 31.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.155 0.502 . . . . 0.0 111.596 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.64 143.13 26.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.461 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 88' ' ' VAL . . . -76.48 126.71 31.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.817 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.5 p -75.54 171.3 14.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.028 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.4 t -55.59 -39.75 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.153 0.502 . . . . 0.0 110.643 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.55 -50.61 43.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.375 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.513 ' OE2' HD13 ' A' ' 19' ' ' LEU . 62.7 mt-10 -56.71 -39.95 74.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.925 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.758 ' NH1' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -60.58 -48.7 80.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.105 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -39.56 75.73 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 mttp . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.526 177.882 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.758 HG21 ' NH1' ' A' ' 60' ' ' ARG . 90.6 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.795 0.331 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.3 p -92.39 133.97 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.927 ' CD2' HD11 ' A' ' 19' ' ' LEU . 1.1 mp -115.69 144.92 43.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.562 HD21 HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.32 158.97 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.04 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.526 ' HG2' ' HB3' ' A' ' 51' ' ' TRP . 4.2 mmmm -76.56 122.42 24.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.736 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -51.32 -36.19 41.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.0 m -64.96 -38.48 91.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.453 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -68.06 -49.34 61.94 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.682 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 99' ' ' ILE . 16.9 t -63.21 -47.95 89.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.636 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -43.68 73.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.713 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -61.08 -48.52 81.32 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 111.078 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 50' ' ' LEU . 5.8 mt -61.6 -39.4 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.065 0.46 . . . . 0.0 109.765 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 29.7 mt -67.72 -33.27 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.092 178.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.87 -14.0 59.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.045 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.49 3.58 53.18 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.621 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.474 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -104.51 110.9 23.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 177.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.486 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 8.4 p-10 -167.69 16.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -58.67 -38.5 78.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -71.01 -21.43 62.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.4 m-85 -84.77 -44.52 13.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.852 0.358 . . . . 0.0 111.56 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -64.84 -21.59 66.82 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.62 -178.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.936 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 4.7 tptt . . . . . 0 CA--C 1.527 0.085 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.9 Cg_exo -59.8 155.32 44.11 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.412 2.075 . . . . 0.0 111.924 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.802 HG22 ' HG3' ' A' ' 31' ' ' GLU . 13.3 m -72.84 117.35 16.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 CA-C-O 121.319 0.581 . . . . 0.0 111.622 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -112.5 149.92 31.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.098 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.721 ' CE2' HD23 ' A' ' 90' ' ' LEU . 15.8 p90 -149.31 168.56 23.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 111.223 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -102.92 127.96 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.368 179.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.579 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.2 mt -108.17 -20.52 13.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.538 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 4.4 mm-40 -128.01 143.86 51.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.025 0.44 . . . . 0.0 111.251 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -65.06 -11.99 45.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.92 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -1.15 42.61 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.87 24.65 10.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.361 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -83.75 116.73 22.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 0.0 110.502 179.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.462 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.4 m-85 -110.47 130.84 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.287 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CD1' ' CZ3' ' A' ' 51' ' ' TRP . 79.7 m-85 -121.75 166.63 14.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.512 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.481 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -130.86 149.77 52.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.502 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.739 HD12 HG21 ' A' ' 15' ' ' VAL . 17.7 mt -77.19 122.09 31.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.924 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.74 -36.88 60.27 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.911 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.506 ' OG ' HG22 ' A' ' 28' ' ' ILE . 4.4 p -57.19 -38.77 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.12 0.486 . . . . 0.0 110.08 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.802 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.3 mm-40 -70.67 -41.72 71.71 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.094 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.902 ' O ' HD12 ' A' ' 36' ' ' LEU . 31.5 t -62.6 -40.6 88.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.616 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.33 -50.61 58.73 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.568 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 25.8 p30 -65.46 -32.99 74.9 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.249 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.0 t80 -63.12 -42.81 99.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.945 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.902 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -93.38 -3.13 53.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.124 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.63 29.96 5.22 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.622 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.4 mtt -101.16 126.07 47.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -126.81 175.1 8.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 56.73 42.78 26.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.82 19.48 55.68 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -60.25 -33.88 72.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 36' ' ' LEU . 2.0 tp -64.95 -52.08 58.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.733 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.16 -39.0 86.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.77 -40.31 91.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.693 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -83.62 -15.91 47.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 108' ' ' LYS . 89.0 m-85 -134.31 65.56 68.64 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo -62.36 -32.32 81.31 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.647 2.231 . . . . 0.0 112.72 -179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' A' ' 107' ' ' TYR . 3.1 t -72.51 -10.07 59.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.686 0.279 . . . . 0.0 111.22 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.68 HD11 HD11 ' A' ' 99' ' ' ILE . 6.3 tp -69.55 128.52 36.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.579 ' CD2' ' HD2' ' A' ' 92' ' ' LYS . 73.3 t90 -69.91 118.91 13.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.646 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.36 143.54 37.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.764 0.316 . . . . 0.0 111.188 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -154.1 166.17 33.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.088 179.661 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.18 153.07 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.839 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -106.83 140.73 39.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.039 0.447 . . . . 0.0 111.776 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.3 p -77.66 171.53 14.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.148 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 36.0 t -60.25 -37.07 72.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.988 0.423 . . . . 0.0 110.686 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.39 -51.17 31.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.01 -46.71 89.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 9.9 ptp180 -60.77 -41.61 95.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -57.93 -43.37 86.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.4 mttt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.17 178.675 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.694 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 23.2 t . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.797 0.332 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 66.2 p -90.91 119.17 30.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.839 HD11 ' HB2' ' A' ' 55' ' ' ALA . 1.9 mp -96.75 144.88 26.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.978 0.418 . . . . 0.0 111.385 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.21 151.53 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.498 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.579 ' HD2' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -69.77 121.6 17.56 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.347 0.594 . . . . 0.0 111.323 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.66 -42.38 56.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.694 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -56.85 -40.25 75.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.048 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.452 ' HG2' ' CE1' ' A' ' 107' ' ' TYR . 15.0 mt-10 -68.22 -49.32 61.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.984 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.575 ' HA ' HD12 ' A' ' 99' ' ' ILE . 10.9 t -60.95 -50.21 81.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.84 -42.14 71.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.63 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.1 OUTLIER -60.91 -48.8 80.17 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.064 0.459 . . . . 0.0 111.038 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.68 HD11 HD11 ' A' ' 50' ' ' LEU . 4.1 mt -62.4 -39.23 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.082 0.468 . . . . 0.0 109.8 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 20.1 mt -66.75 -34.63 78.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.122 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.74 -14.35 59.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.062 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.56 3.61 52.95 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.533 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.469 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.7 OUTLIER -104.22 110.78 23.12 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.788 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.498 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 12.2 p-10 -164.36 13.82 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -39.11 65.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -30.06 70.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.644 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.452 ' CE1' ' HG2' ' A' ' 95' ' ' GLU . 24.3 m-85 -80.28 -43.84 20.62 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.322 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -68.44 -11.16 59.31 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.342 -179.329 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.514 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 4.4 tppp? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.726 0.298 . . . . 0.0 110.415 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.437 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 31.1 Cg_exo -60.36 162.3 17.8 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.429 2.086 . . . . 0.0 111.906 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.795 HG13 ' CD ' ' A' ' 31' ' ' GLU . 16.2 m -72.9 117.23 16.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 121.331 0.586 . . . . 0.0 112.055 -178.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.482 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.25 153.24 28.71 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.457 179.129 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.578 ' HE1' HD21 ' A' ' 90' ' ' LEU . 22.2 p90 -155.14 169.09 24.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 111.736 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -104.6 127.98 52.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.41 179.566 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.6 mt -108.79 -25.1 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.434 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.19 143.81 47.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 111.181 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.89 -12.11 58.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.659 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.22 -3.28 51.85 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.0 24.11 8.22 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.397 -0.906 . . . . 0.0 113.135 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -80.94 116.78 21.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.4 m-85 -111.36 128.86 56.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.619 ' CB ' HD23 ' A' ' 90' ' ' LEU . 89.7 m-85 -121.39 166.84 13.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.583 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.482 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 4.9 mtm -135.84 149.27 48.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.745 HD12 HG21 ' A' ' 15' ' ' VAL . 12.0 mt -79.25 118.15 26.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 121.119 0.485 . . . . 0.0 111.049 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.87 -24.75 34.97 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.748 -0.66 . . . . 0.0 113.044 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.427 ' H ' HG22 ' A' ' 28' ' ' ILE . 6.0 t -64.15 -43.32 95.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.172 0.51 . . . . 0.0 109.701 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.795 ' CD ' HG13 ' A' ' 15' ' ' VAL . 1.9 mm-40 -70.49 -39.62 74.08 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.948 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.914 ' O ' HD12 ' A' ' 36' ' ' LEU . 39.6 t -63.87 -40.68 89.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.261 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.96 -50.7 61.35 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.234 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.2 p30 -64.48 -33.0 74.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.072 0.463 . . . . 0.0 110.032 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.2 t80 -60.89 -42.78 98.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.85 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.66 -2.75 50.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.988 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.58 30.11 5.25 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.742 0.306 . . . . 0.0 111.407 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.0 126.32 47.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.068 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -126.53 175.02 8.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.123 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 59.41 37.49 23.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.747 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.56 20.59 63.87 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -57.96 -33.97 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.411 ' CD1' HD13 ' A' ' 36' ' ' LEU . 4.2 tp -64.91 -51.08 63.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.513 ' HE2' HD11 ' A' ' 91' ' ' LEU . 23.0 m-85 -69.31 -39.0 78.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.032 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -28.92 65.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -90.34 -24.67 20.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.596 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.8 m-85 -119.43 71.7 13.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.111 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.45 -28.66 78.2 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.866 2.377 . . . . 0.0 112.97 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.421 ' CB ' ' HA ' ' A' ' 107' ' ' TYR . 0.4 OUTLIER -85.42 6.42 26.76 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.677 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.596 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 6.2 tp -87.28 130.86 34.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 111.277 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.65 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 68.4 t90 -69.9 119.55 14.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -139.5 138.79 36.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.111 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.65 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -152.28 160.66 43.31 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 111.487 179.334 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.435 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -94.02 131.77 39.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.81 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -80.91 146.74 30.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.011 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.619 HG23 ' OE1' ' A' ' 59' ' ' GLU . 6.8 p -83.01 171.5 13.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.522 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 24.9 t -54.02 -48.48 64.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.19 0.519 . . . . 0.0 110.249 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.83 -40.42 95.25 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.619 ' OE1' HG23 ' A' ' 56' ' ' THR . 34.3 mt-10 -60.92 -46.08 92.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.078 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -60.99 -38.5 86.25 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.541 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.535 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 26.8 mttt -58.82 -49.5 77.49 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 3.4 mtpm? . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.5 179.062 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.639 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 18.5 t . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.861 0.362 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 p -92.4 116.2 28.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.2 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.81 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -96.77 144.75 26.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.29 -179.379 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 90' ' ' LEU . 10.3 mp -135.75 157.0 47.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.399 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.519 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 8.8 mmtt -76.6 121.7 23.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.935 0.398 . . . . 0.0 110.672 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.34 -44.19 54.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.504 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 55.0 p -59.02 -37.88 77.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.454 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -68.05 -49.25 62.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.526 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.678 ' HA ' HD12 ' A' ' 99' ' ' ILE . 22.0 t -63.11 -39.26 84.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.489 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.14 -46.04 89.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.675 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 13.9 mm-40 -61.72 -48.01 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.082 0.467 . . . . 0.0 110.719 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 96' ' ' VAL . 4.6 mt -61.23 -39.24 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.8 mt -65.24 -35.94 82.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.856 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.88 -13.06 60.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.281 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.32 3.78 53.61 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.7 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 9.0 t30 -104.33 111.12 23.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.1 p-10 -167.7 17.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.46 -34.04 68.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.362 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -25.3 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 26.4 m-85 -82.06 -31.92 30.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.47 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -80.81 -19.8 43.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.436 -178.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.222 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.055 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.3 tppp? . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.759 0.314 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.8 Cg_exo -59.74 158.03 30.24 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.386 2.057 . . . . 0.0 112.097 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.787 HG22 ' HG3' ' A' ' 31' ' ' GLU . 15.2 m -72.95 116.98 15.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.279 0.562 . . . . 0.0 111.635 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -111.33 149.68 30.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.855 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.712 ' CE1' HD23 ' A' ' 90' ' ' LEU . 22.8 p90 -148.05 167.62 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 111.434 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.422 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.89 127.93 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 179.646 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 90' ' ' LEU . 4.7 mt -108.74 -27.11 9.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.266 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -118.76 143.82 46.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.978 0.418 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.73 -12.24 57.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.691 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.29 -1.93 47.03 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.89 25.21 8.13 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.447 -0.882 . . . . 0.0 113.078 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -80.47 116.79 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 110.619 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 7.5 m-85 -111.54 133.91 53.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.508 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 82.6 m-85 -126.18 166.56 16.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.569 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.483 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -132.2 146.28 51.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.504 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.723 HD12 HG21 ' A' ' 15' ' ' VAL . 14.5 mt -76.12 122.72 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.885 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.461 ' H ' HG23 ' A' ' 89' ' ' THR . . . -54.66 -29.4 48.87 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.081 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.3 p -61.6 -41.43 97.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.045 0.45 . . . . 0.0 109.975 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.787 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -71.07 -42.37 69.49 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.235 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.923 ' O ' HD12 ' A' ' 36' ' ' LEU . 23.8 t -62.1 -40.81 88.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.496 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.68 -50.73 59.48 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.3 p30 -65.43 -32.95 74.84 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.201 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.492 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -61.56 -42.89 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.781 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.923 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -93.43 -3.83 52.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.93 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.7 30.8 4.81 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.39 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.7 mmm -101.7 126.04 48.48 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -126.61 174.96 8.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 56.9 43.33 25.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.57 19.18 53.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.462 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.9 t -60.11 -33.7 72.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.771 0.319 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 36' ' ' LEU . 1.8 tp -64.89 -51.63 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.428 ' CE2' ' HD2' ' A' ' 52' ' ' ARG . 27.8 m-85 -69.21 -36.65 77.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -34.1 77.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.311 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -92.05 -14.28 29.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.138 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 92.3 m-85 -134.99 59.91 37.25 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.467 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 28.0 Cg_exo -62.44 -30.15 79.85 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.387 2.058 . . . . 0.0 112.423 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.9 t -72.14 -15.65 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.244 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.812 HD11 HD11 ' A' ' 99' ' ' ILE . 4.0 tp -67.36 135.84 53.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 111.137 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 70.5 t90 -71.27 119.53 15.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.428 ' HD2' ' CE2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -139.67 138.69 36.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.735 179.492 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.629 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.16 160.13 41.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 111.415 179.544 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.407 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -95.15 130.94 41.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.112 -179.718 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 1.063 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -83.52 145.63 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.568 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.61 HG23 ' OE1' ' A' ' 59' ' ' GLU . 13.9 p -72.15 171.63 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.241 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 23.7 t -59.63 -37.29 69.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.998 0.428 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -70.21 -50.87 35.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.35 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.61 ' OE1' HG23 ' A' ' 56' ' ' THR . 10.1 mt-10 -60.17 -46.74 88.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.013 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 9.4 ptp180 -60.71 -41.89 96.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.466 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -42.06 84.8 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.13 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.43 HG21 ' HB2' ' A' ' 60' ' ' ARG . 47.3 t . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 29' ' ' GLY . 3.1 t -95.04 115.31 27.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.545 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.063 HD11 ' HB2' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -96.93 147.9 23.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.003 0.43 . . . . 0.0 111.424 -179.576 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 90' ' ' LEU . 6.4 mp -132.86 157.5 44.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.286 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.551 ' HG2' ' HB3' ' A' ' 51' ' ' TRP . 14.1 mmtm -71.29 122.09 19.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -52.91 -38.34 61.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.973 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 20.9 t -65.05 -35.33 80.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.512 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -67.46 -49.82 61.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.979 0.419 . . . . 0.0 110.498 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.698 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.1 t -64.32 -38.54 82.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.566 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.97 90.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.738 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 2.4 mm-40 -62.47 -48.38 79.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 0.0 110.632 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.812 HD11 HD11 ' A' ' 50' ' ' LEU . 3.5 mt -61.54 -39.34 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.7 mt -66.46 -35.56 80.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.952 178.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -77.81 -13.29 59.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.27 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.18 3.7 54.08 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.623 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 42.7 t30 -104.36 111.05 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 14.3 p-10 -164.87 15.19 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -54.02 -40.44 67.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.949 0.404 . . . . 0.0 111.068 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -65.91 -30.25 70.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.663 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.458 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 21.2 m-85 -79.31 -39.03 33.85 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -75.88 -5.99 48.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.107 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.173 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.481 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HG3' ' HD2' ' A' ' 14' ' ' PRO . 3.4 tppp? . . . . . 0 C--O 1.232 0.151 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.404 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 32.1 Cg_exo -59.73 159.32 24.95 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.47 2.114 . . . . 0.0 112.141 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.789 HG22 ' HG3' ' A' ' 31' ' ' GLU . 18.4 m -72.89 117.99 17.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.153 0.502 . . . . 0.0 111.611 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.92 150.81 33.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.098 179.522 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -150.11 169.25 21.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 0.0 111.167 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.83 127.95 49.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.724 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.828 HD11 ' CD2' ' A' ' 90' ' ' LEU . 18.1 mt -106.05 -30.93 8.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.06 143.85 45.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 111.054 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -66.68 -12.16 57.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.709 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.17 -0.01 38.46 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.11 24.93 8.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.398 -0.906 . . . . 0.0 113.107 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -81.92 116.87 21.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.726 0.298 . . . . 0.0 110.547 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.436 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.8 m-85 -112.53 130.96 55.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.966 0.412 . . . . 0.0 111.22 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 89.5 m-85 -123.67 166.52 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.724 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.505 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.52 148.88 52.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.606 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.756 HD12 HG21 ' A' ' 15' ' ' VAL . 19.8 mt -76.98 121.69 29.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.778 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.67 -29.41 48.96 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.196 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.436 ' H ' HG22 ' A' ' 28' ' ' ILE . 45.1 t -62.1 -41.28 98.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.075 0.464 . . . . 0.0 110.034 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.789 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -71.1 -41.86 70.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.173 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.918 ' O ' HD12 ' A' ' 36' ' ' LEU . 14.6 t -62.68 -40.87 90.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.438 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.05 -50.74 60.85 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.299 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 23.5 p30 -65.15 -33.07 75.13 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.118 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.49 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.6 t80 -60.62 -43.01 97.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.889 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.918 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.1 -3.78 50.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.955 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 68.56 31.18 4.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.1 mtt -102.14 126.16 49.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.12 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -126.53 174.73 8.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.177 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 55.99 37.74 29.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.6 22.06 76.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -34.05 75.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.329 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.683 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.7 tp -64.95 -52.2 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -68.02 -38.62 82.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.786 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -66.32 -30.62 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.982 0.42 . . . . 0.0 110.225 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 108' ' ' LYS . 4.7 tpm_? -91.93 -13.65 30.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.032 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.622 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 60.4 m-85 -134.14 63.82 63.22 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 36.0 Cg_exo -60.45 -32.1 93.36 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.777 2.318 . . . . 0.0 113.495 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.17 8.23 18.98 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.79 HD11 HD11 ' A' ' 99' ' ' ILE . 5.2 tp -84.27 139.93 32.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.234 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.608 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.1 t90 -70.33 116.11 10.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -139.57 138.61 36.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.515 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.576 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.11 152.13 30.08 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.504 179.664 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.83 153.08 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.688 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.649 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -93.54 127.02 39.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.613 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' OE1' ' A' ' 59' ' ' GLU . 11.9 p -72.01 171.45 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.042 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.477 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 34.6 t -58.4 -38.12 67.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.964 0.412 . . . . 0.0 110.545 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.17 -45.41 66.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.137 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.542 ' OE1' HG23 ' A' ' 56' ' ' THR . 4.1 mt-10 -61.91 -46.48 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.844 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 57' ' ' VAL . 3.2 ptt180 -60.78 -42.42 97.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.294 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 1.6 mtpm? -57.77 -41.43 81.97 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mttt . . . . . 0 N--CA 1.452 -0.349 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.639 178.17 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.49 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 28.0 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.739 0.304 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.4 p -90.86 131.85 36.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.907 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.828 ' CD2' HD11 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -113.31 145.0 41.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.396 -179.703 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.577 HD12 ' C ' ' A' ' 90' ' ' LEU . 7.6 mp -134.86 152.73 51.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.586 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.608 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 3.8 mmmp? -76.21 122.4 24.3 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.938 0.399 . . . . 0.0 111.019 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.4 -34.28 23.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.361 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 m -62.53 -42.74 99.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.689 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.453 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 2.4 mm-40 -66.7 -49.34 66.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 99' ' ' ILE . 16.8 t -61.81 -49.56 83.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.076 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.44 -44.06 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.786 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -61.24 -48.44 81.47 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.052 0.453 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.79 HD11 HD11 ' A' ' 50' ' ' LEU . 4.9 mt -61.8 -39.4 83.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 21.7 mt -67.24 -33.54 75.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.872 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -77.78 -13.84 59.77 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.143 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.57 3.91 52.78 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.626 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.484 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -104.04 111.21 23.68 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.77 ' OD2' HG23 ' A' ' 99' ' ' ILE . 3.4 p30 -168.28 20.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.577 ' HA ' ' HE2' ' A' ' 108' ' ' LYS . 2.6 mt-10 -51.67 -47.81 63.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.355 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -9.96 59.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.658 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.3 m-85 -85.84 -46.41 10.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.589 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.25 -6.52 59.28 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.151 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.172 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.522 179.933 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.414 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 12.6 tppt? . . . . . 0 C--O 1.231 0.102 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.504 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 39.1 Cg_exo -60.94 156.17 45.58 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.493 2.129 . . . . 0.0 112.082 -179.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.899 HG22 ' HG3' ' A' ' 31' ' ' GLU . 18.6 m -72.86 117.25 16.18 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.187 0.518 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -109.36 158.82 17.53 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.065 179.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.721 ' HE1' HD21 ' A' ' 90' ' ' LEU . 17.8 p90 -159.58 168.28 26.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.923 0.392 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.478 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.88 127.98 49.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.227 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.506 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.1 mt -109.03 -21.34 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.387 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -126.4 143.87 51.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.008 0.432 . . . . 0.0 111.115 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.29 -12.02 26.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.007 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.12 2.17 28.59 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.12 11.72 53.86 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 120.424 -0.893 . . . . 0.0 113.228 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.1 tt0 -70.11 116.56 10.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.449 . . . . 0.0 110.66 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -109.77 130.71 55.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.312 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.702 ' HB3' HD23 ' A' ' 90' ' ' LEU . 82.4 m-85 -121.47 166.46 14.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.688 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.521 ' HE2' ' HB ' ' A' ' 96' ' ' VAL . 1.4 mtm -133.07 153.43 51.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.238 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.679 HG13 HG23 ' A' ' 15' ' ' VAL . 12.3 mt -80.4 122.36 35.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.315 0.578 . . . . 0.0 111.258 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.68 -35.25 57.19 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.596 -0.729 . . . . 0.0 113.019 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -58.44 -39.85 80.95 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.234 0.54 . . . . 0.0 109.812 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.899 ' HG3' HG22 ' A' ' 15' ' ' VAL . 4.0 mm-40 -66.99 -42.73 84.54 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.66 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.858 ' O ' HD12 ' A' ' 36' ' ' LEU . 29.9 t -62.43 -40.69 89.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.267 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.78 -50.7 64.68 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.029 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 16.7 p30 -62.73 -32.62 73.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 109.753 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.854 ' CE1' HD22 ' A' ' 100' ' ' LEU . 5.0 t80 -59.64 -42.58 93.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.301 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.858 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -102.18 2.62 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.265 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 68.43 28.45 6.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.396 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.6 mtt -100.99 126.01 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.185 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -126.85 175.01 8.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 56.31 36.56 27.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.005 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.68 20.91 79.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.574 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -60.08 -33.86 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.5 tp -64.92 -51.83 59.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.558 ' HE2' HD11 ' A' ' 91' ' ' LEU . 27.7 m-85 -65.66 -35.59 81.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.01 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.83 -33.81 74.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -92.05 -11.65 35.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.301 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.587 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 64.3 m-85 -134.07 65.22 68.83 Favored Pre-proline 0 CA--C 1.531 0.226 0 CA-C-O 120.769 0.319 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -62.35 -27.26 77.53 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.78 2.32 . . . . 0.0 112.898 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.9 t -86.88 7.99 24.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.644 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.587 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.2 tp -87.38 137.3 32.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.062 0.458 . . . . 0.0 111.438 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CH2' ' CE2' ' A' ' 26' ' ' TYR . 73.0 t90 -69.83 115.89 9.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.543 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 138.59 36.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.847 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.44 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 16.1 ptt180 -154.11 156.81 37.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 111.368 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.14 130.84 36.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.277 179.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.923 ' HB2' HD12 ' A' ' 90' ' ' LEU . . . -79.94 143.14 34.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.492 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 4.8 p -71.86 167.69 19.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.319 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.0 t -53.46 -48.13 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.973 0.416 . . . . 0.0 110.444 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.52 -39.43 93.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.031 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.518 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 12.3 mt-10 -62.85 -42.46 99.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.827 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.545 ' CD ' HG23 ' A' ' 88' ' ' VAL . 7.9 mtm-85 -62.41 -41.92 99.04 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.794 0.331 . . . . 0.0 110.158 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -45.72 86.02 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 mttt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.904 178.752 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.545 HG23 ' CD ' ' A' ' 60' ' ' ARG . 36.9 t . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.912 0.386 . . . . 0.0 111.276 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.93 119.54 31.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.591 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.923 HD12 ' HB2' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -98.81 144.41 28.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.304 -179.556 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 90' ' ' LEU . 5.2 mp -140.86 156.91 46.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.708 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.503 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 6.2 mmtt -75.06 121.51 22.12 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.015 0.436 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.55 -52.85 27.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.716 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.52 -33.77 64.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.373 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.489 ' HB3' HD11 ' A' ' 50' ' ' LEU . 91.8 mt-10 -68.1 -49.29 62.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.785 0.326 . . . . 0.0 111.007 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.535 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.2 t -61.18 -49.92 82.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.024 0.44 . . . . 0.0 110.314 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -54.83 -39.2 68.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.954 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.575 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 8.1 mm-40 -64.09 -48.82 74.68 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.163 0.506 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.75 HG23 ' OD1' ' A' ' 104' ' ' ASP . 3.4 mt -62.96 -39.43 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.879 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.854 HD22 ' CE1' ' A' ' 35' ' ' TYR . 32.2 mt -67.47 -32.7 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.799 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -77.92 -14.57 59.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.21 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.67 4.05 52.39 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.627 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.575 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 10.2 t30 -103.95 111.56 24.15 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.75 ' OD1' HG23 ' A' ' 99' ' ' ILE . 3.6 p30 -169.22 19.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.281 -0.567 . . . . 0.0 112.374 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.58 ' HA ' ' HE2' ' A' ' 108' ' ' LYS . 43.3 mt-10 -51.72 -45.19 63.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -74.83 -19.28 60.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.625 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 20.8 m-85 -76.17 -46.14 29.99 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.58 ' HE2' ' HA ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -85.65 -9.52 57.12 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.254 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.452 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.116 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 25.9 Cg_exo -63.91 159.74 40.66 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.646 2.23 . . . . 0.0 112.285 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.858 HG22 ' HG3' ' A' ' 31' ' ' GLU . 17.2 m -72.66 116.16 14.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.356 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.98 159.79 16.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.49 -179.62 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 22.4 p90 -159.83 167.07 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.998 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.93 127.97 49.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.477 179.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.694 HD12 HD21 ' A' ' 90' ' ' LEU . 4.5 mt -108.71 -25.42 10.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.56 143.8 48.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.952 0.406 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.55 -12.17 56.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.652 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.36 0.02 39.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.95 26.02 9.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.501 -0.856 . . . . 0.0 113.09 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -82.48 116.68 22.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.774 0.321 . . . . 0.0 110.649 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 7.3 m-85 -110.83 130.96 55.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 89.7 m-85 -123.1 166.51 15.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.716 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.436 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -132.5 149.47 52.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.33 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.678 HD12 HG21 ' A' ' 15' ' ' VAL . 13.3 mt -77.91 123.87 35.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.35 0.595 . . . . 0.0 111.368 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.79 -35.99 59.0 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.981 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.528 ' OG ' HG22 ' A' ' 28' ' ' ILE . 1.3 p -57.91 -39.06 77.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.105 0.478 . . . . 0.0 109.91 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.858 ' HG3' HG22 ' A' ' 15' ' ' VAL . 4.0 mm-40 -68.27 -45.03 74.24 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.896 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 36' ' ' LEU . 35.9 t -60.1 -40.57 83.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.029 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.59 -50.17 69.78 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.804 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.477 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 17.4 p30 -61.68 -32.94 73.15 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.173 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.643 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -59.59 -43.94 93.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.633 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.794 HD13 ' CD1' ' A' ' 43' ' ' LEU . 2.2 mp -98.58 1.26 46.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.618 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.58 26.0 8.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.244 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.409 ' HE3' ' HA ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -100.9 126.19 47.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.399 179.526 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -126.87 174.32 8.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.7 44.67 25.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.048 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.49 19.73 69.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.571 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -66.07 -34.01 77.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.83 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.794 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.8 tp -64.97 -52.04 58.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.41 ' CE1' ' HG2' ' A' ' 52' ' ' ARG . 14.7 m-85 -63.43 -34.24 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -65.79 -39.05 90.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.525 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -83.34 -17.01 43.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 83.2 m-85 -134.05 64.24 65.33 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 36.3 Cg_exo -62.25 -29.18 79.88 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.739 2.292 . . . . 0.0 113.097 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.431 ' HB3' ' HA ' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -76.21 -10.49 59.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.757 0.313 . . . . 0.0 111.218 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' ' 95' ' ' GLU . 7.7 tp -70.0 135.36 49.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.361 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.802 ' O ' HD13 ' A' ' 91' ' ' LEU . 80.7 t90 -69.77 117.82 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.897 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG2' ' CE1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -132.99 138.21 46.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.677 0.275 . . . . 0.0 110.554 179.374 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.47 143.61 21.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 111.392 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.63 134.37 34.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.462 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.798 ' HB2' HD13 ' A' ' 90' ' ' LEU . . . -89.77 148.02 23.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.432 . . . . 0.0 111.635 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.603 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.7 p -71.95 164.09 26.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.257 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.449 ' HA ' ' HD2' ' A' ' 60' ' ' ARG . 21.6 t -53.29 -34.64 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.148 0.499 . . . . 0.0 110.632 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.18 -51.2 33.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.35 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.65 -41.5 86.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.541 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 56' ' ' THR . 7.9 mtt180 -61.62 -42.42 98.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.174 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -57.85 -43.46 85.92 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.176 178.699 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 23.0 t . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.85 0.357 . . . . 0.0 111.076 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 p -92.1 131.36 37.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.58 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -104.53 144.2 32.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.969 0.414 . . . . 0.0 111.494 -179.63 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 51' ' ' TRP . 4.5 mm? -135.95 152.67 51.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.133 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.532 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 8.9 mmmm -76.15 121.8 23.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.662 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -48.87 -48.33 42.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.855 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.467 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 1.5 p -56.5 -37.45 70.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.297 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.591 ' HB3' HD11 ' A' ' 50' ' ' LEU . 5.1 mt-10 -68.05 -49.43 61.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 111.034 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.765 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.8 t -61.15 -47.12 94.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.441 . . . . 0.0 110.47 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.94 -43.48 73.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.958 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.646 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 37.2 mm-40 -61.54 -48.52 80.62 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.048 0.451 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 96' ' ' VAL . 2.6 mt -61.9 -39.69 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.643 HD22 ' CZ ' ' A' ' 35' ' ' TYR . 19.6 mt -66.86 -33.38 75.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.007 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.57 -14.86 59.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.037 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.35 3.58 53.61 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.631 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.646 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 5.5 t30 -104.44 111.53 24.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 6.5 p-10 -165.81 15.55 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.093 -0.643 . . . . 0.0 112.724 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.61 -36.51 64.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.742 0.306 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -29.61 65.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.473 ' CE1' ' HG2' ' A' ' 95' ' ' GLU . 22.8 m-85 -78.32 -29.58 47.75 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -87.99 -5.72 58.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.058 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.207 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.858 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.094 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 32.7 Cg_exo -60.09 162.25 17.16 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.316 2.011 . . . . 0.0 111.825 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.9 HG13 ' OE1' ' A' ' 31' ' ' GLU . 19.8 m -74.64 121.67 26.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 121.337 0.589 . . . . 0.0 112.168 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -114.47 153.59 29.69 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.666 179.037 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.3 p90 -153.48 169.19 23.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.979 0.419 . . . . 0.0 111.309 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.459 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.95 128.54 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.457 179.649 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 19' ' ' LEU . 4.7 mt -108.59 -21.25 12.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.428 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 8.2 mm-40 -128.22 143.99 51.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.983 0.42 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.87 -11.99 43.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.834 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -80.99 0.14 36.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.26 21.3 17.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.311 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 2.3 mt-10 -79.81 116.87 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.525 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.459 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -110.86 130.57 55.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.01 0.433 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.498 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 75.5 m-85 -121.16 166.8 13.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.509 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.467 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 5.1 mtm -132.69 151.14 52.05 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.448 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.662 HD12 HG21 ' A' ' 15' ' ' VAL . 12.1 mt -79.0 118.8 27.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.74 -31.44 53.77 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.058 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -60.94 -40.86 94.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.208 0.528 . . . . 0.0 109.904 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.9 ' OE1' HG13 ' A' ' 15' ' ' VAL . 2.6 mm-40 -70.49 -39.23 74.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.96 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.926 ' O ' HD12 ' A' ' 36' ' ' LEU . 23.7 t -64.25 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.289 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.98 -50.77 60.75 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.247 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 23.7 p30 -64.33 -33.04 74.93 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.097 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.5 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -61.4 -42.82 99.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.891 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.926 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.2 -2.72 52.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.027 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 68.57 30.56 5.09 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.484 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.1 mtt -100.98 126.09 47.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.202 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -126.63 175.07 8.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.138 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 57.42 37.8 28.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.46 22.83 68.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.52 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.6 t -61.62 -33.99 74.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.828 0.347 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 tp -64.99 -52.14 57.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.757 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.457 ' HE2' HD11 ' A' ' 91' ' ' LEU . 23.0 m-85 -66.13 -38.91 89.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -68.0 -35.69 78.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -88.02 -13.53 41.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.339 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.528 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 82.2 m-85 -133.81 66.28 72.49 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.79 0.328 . . . . 0.0 111.016 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -63.13 -30.27 75.08 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.758 2.305 . . . . 0.0 112.746 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -77.71 -3.92 43.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.594 0.235 . . . . 0.0 111.228 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 99' ' ' ILE . 7.0 tp -77.54 139.8 39.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 111.239 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 71.0 t90 -77.14 116.3 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.589 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 4.8 ppt_? -139.25 139.01 37.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.497 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -151.78 166.16 32.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.938 0.399 . . . . 0.0 111.354 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.13 153.03 20.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.432 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 88' ' ' VAL . . . -105.95 131.13 53.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.012 0.434 . . . . 0.0 111.8 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.2 p -72.11 171.53 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.244 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.589 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 20.2 t -59.62 -34.22 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.101 0.476 . . . . 0.0 110.274 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -70.49 -47.3 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.051 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.52 -45.05 92.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.234 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.589 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.4 OUTLIER -62.17 -43.57 98.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.759 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -60.23 -41.19 92.6 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.1 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.489 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 40.1 mttt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.023 178.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.653 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 38.4 t . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.843 0.354 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -90.78 128.47 36.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.428 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.741 ' O ' HD12 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -106.54 144.67 32.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 111.477 -179.505 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 90' ' ' LEU . 5.0 mp -139.42 156.31 47.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.572 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.53 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 7.1 mmtt -78.38 121.17 24.14 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.33 -42.84 53.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.657 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -39.05 89.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.012 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.457 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 6.8 mt-10 -68.66 -49.34 59.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.697 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.741 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.2 t -60.51 -47.59 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.134 0.493 . . . . 0.0 110.047 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.45 -40.84 72.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.78 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.638 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.5 mm-40 -61.61 -48.75 79.51 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.197 0.522 . . . . 0.0 110.461 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.0 mt -61.95 -39.22 82.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.797 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 21.6 mt -66.34 -33.96 76.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.055 178.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -77.8 -14.65 59.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.954 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.47 3.87 53.11 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.584 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.638 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 31.0 t30 -104.3 111.3 23.87 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.504 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 13.4 p-10 -166.11 16.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.12 -39.03 68.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.947 0.403 . . . . 0.0 111.045 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -70.17 -26.82 64.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.1 m-85 -81.4 -40.0 24.12 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.674 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -70.1 -22.67 63.01 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.622 -179.226 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.02 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.121 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.433 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 29.7 Cg_exo -60.07 162.15 17.35 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.298 1.999 . . . . 0.0 111.771 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.796 HG22 ' HG3' ' A' ' 31' ' ' GLU . 29.6 m -74.48 121.08 25.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-O 121.234 0.54 . . . . 0.0 112.384 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -114.84 147.95 39.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.704 179.141 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.7 ' CE2' HD23 ' A' ' 90' ' ' LEU . 19.2 p90 -147.68 169.06 20.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.975 0.416 . . . . 0.0 111.383 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.453 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -103.03 127.9 50.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.41 179.572 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.517 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.6 mt -109.04 -23.51 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.345 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -121.55 143.75 49.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.938 0.399 . . . . 0.0 110.999 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -12.08 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.775 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.31 -3.64 53.19 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.03 26.05 7.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.0 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.49 116.8 22.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.544 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.8 m-85 -110.35 132.22 54.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.494 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 88.1 m-85 -123.9 166.7 15.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.464 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' MET . . . . . 0.505 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 6.3 mtm -134.15 146.91 50.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.655 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.693 HD12 HG21 ' A' ' 15' ' ' VAL . 14.6 mt -74.84 118.92 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.45 44.07 Favored Glycine 0 C--N 1.332 0.319 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.012 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 28' ' ' ILE . 33.8 t -64.16 -41.91 96.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.202 0.525 . . . . 0.0 109.754 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.796 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.6 mm-40 -69.79 -39.27 76.7 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.117 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.916 ' O ' HD12 ' A' ' 36' ' ' LEU . 19.9 t -66.0 -40.77 88.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.298 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.33 -50.75 63.53 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.107 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.4 p30 -64.22 -33.05 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.043 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.484 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.5 t80 -60.27 -42.9 96.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.855 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.916 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.4 mp -94.28 -3.51 50.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.802 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 68.57 31.32 4.79 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.44 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.1 mtp -102.19 126.21 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.027 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -126.55 173.1 9.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.146 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.13 44.37 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.792 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.12 16.92 58.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.404 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.6 t -57.99 -33.8 69.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.829 0.347 . . . . 0.0 110.981 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.623 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.0 tp -64.87 -51.39 62.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.05 -39.01 79.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -32.47 74.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.018 0.437 . . . . 0.0 110.445 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -92.01 -16.52 26.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.11 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 65.3 m-85 -133.68 64.01 66.08 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.041 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.408 ' HD3' ' N ' ' A' ' 47' ' ' TYR . 27.5 Cg_exo -61.99 -31.97 84.2 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.661 2.24 . . . . 0.0 112.747 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.8 -9.76 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.847 HD11 HD11 ' A' ' 99' ' ' ILE . 2.9 tp -74.22 133.89 42.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.594 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 63.2 t90 -71.86 120.6 17.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -139.58 138.35 36.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.596 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.4 159.42 41.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.753 0.311 . . . . 0.0 111.356 179.701 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.56 130.88 38.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 1.08 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -76.44 142.68 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.617 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.451 ' N ' ' HB2' ' A' ' 59' ' ' GLU . 7.8 p -71.84 169.5 15.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.391 179.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.84 -49.66 57.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.065 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -33.12 74.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.917 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.494 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 20.7 mt-10 -64.87 -43.57 92.54 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.291 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 56' ' ' THR . 0.0 OUTLIER -62.63 -41.82 99.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.025 179.406 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -57.72 -46.5 84.33 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.011 178.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 39.6 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.832 0.349 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.48 114.2 26.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.455 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 1.08 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.0 mp -96.88 148.83 22.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.006 0.432 . . . . 0.0 111.335 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.727 ' CD2' HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -135.18 156.09 49.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.392 179.573 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 5.5 mmtp -70.99 122.04 19.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 0.0 110.722 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -52.58 -38.42 59.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.327 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -64.9 -35.9 82.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.069 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.481 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -67.94 -49.52 61.28 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.067 0.461 . . . . 0.0 110.515 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.633 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.4 t -62.5 -47.61 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.31 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -54.83 -41.48 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.627 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.8 mm-40 -63.08 -48.74 77.35 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.208 0.528 . . . . 0.0 110.499 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.847 HD11 HD11 ' A' ' 50' ' ' LEU . 4.1 mt -61.89 -39.21 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.671 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 18.0 mt -66.06 -34.85 79.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.151 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -14.37 59.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.058 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.46 3.89 53.12 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.427 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 11.9 t30 -104.19 111.22 23.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.47 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.9 p-10 -166.54 16.65 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -56.49 -34.82 67.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -74.2 -26.35 60.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.481 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 24.7 m-85 -80.82 -38.27 28.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.395 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -72.51 -11.67 60.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.242 -179.318 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.15 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.397 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.63 117.69 31.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.09 110.11 8.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -95.98 123.47 39.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.985 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -173.02 112.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.789 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -157.29 130.17 7.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.139 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.0 mt -113.43 134.47 54.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.76 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 p -139.89 97.53 3.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -110.66 -29.74 7.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.471 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 1.4 p -100.48 142.0 32.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.687 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.436 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -138.2 126.13 22.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.485 -179.644 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.39 -170.86 28.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 119.969 -1.11 . . . . 0.0 112.959 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -67.9 157.02 35.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 178.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HD2' ' HD2' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -68.84 144.02 95.39 Favored Pre-proline 0 C--N 1.327 -0.383 0 N-CA-C 110.194 -0.298 . . . . 0.0 110.194 -179.424 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD2' ' HD2' ' A' ' 13' ' ' LYS . 31.6 Cg_exo -59.8 160.71 20.49 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.421 2.081 . . . . 0.0 111.995 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.798 HG22 ' HG3' ' A' ' 31' ' ' GLU . 17.8 m -72.85 117.28 16.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.488 0 CA-C-O 121.193 0.52 . . . . 0.0 111.722 -179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.0 OUTLIER -111.17 150.35 29.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.931 179.355 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.741 ' CE2' HD23 ' A' ' 90' ' ' LEU . 20.1 p90 -149.81 168.29 24.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.939 0.399 . . . . 0.0 111.186 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.48 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -102.77 127.95 49.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.265 179.513 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.57 HD11 HD22 ' A' ' 90' ' ' LEU . 4.6 mt -108.52 -21.3 12.78 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.418 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 2.4 mt-10 -128.16 143.97 51.08 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.001 0.429 . . . . 0.0 111.176 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.4 -12.14 28.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.943 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.16 2.37 27.91 Favored 'General case' 0 CA--C 1.53 0.195 0 N-CA-C 111.882 0.326 . . . . 0.0 111.882 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.83 10.28 55.4 Favored Glycine 0 C--N 1.331 0.261 0 C-N-CA 120.493 -0.86 . . . . 0.0 113.41 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.489 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.4 mt-10 -69.63 116.68 10.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.054 0.454 . . . . 0.0 110.604 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.48 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 5.7 m-85 -110.98 134.89 52.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.141 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.484 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 73.4 m-85 -123.96 166.67 15.3 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.467 179.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.433 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.8 OUTLIER -132.54 147.69 52.36 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.431 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.767 HD12 HG21 ' A' ' 15' ' ' VAL . 17.6 mt -76.15 120.45 26.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.147 0.499 . . . . 0.0 110.938 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.7 -28.81 47.51 Favored Glycine 0 C--N 1.333 0.391 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.936 -178.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.441 ' H ' HG22 ' A' ' 28' ' ' ILE . 14.9 m -61.49 -42.2 98.44 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.081 0.467 . . . . 0.0 109.828 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.798 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.6 mm-40 -69.86 -42.22 73.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.972 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.648 ' O ' HD12 ' A' ' 36' ' ' LEU . 34.1 t -61.4 -40.88 87.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.308 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.435 ' HA2' HD13 ' A' ' 43' ' ' LEU . . . -62.43 -50.7 62.19 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.208 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.2 p30 -65.94 -32.8 74.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.988 0.423 . . . . 0.0 110.219 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.487 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.3 t80 -59.83 -43.03 94.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.768 179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.648 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mt -95.25 -4.0 46.55 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.826 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 68.45 32.27 4.55 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.42 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -101.1 126.1 47.77 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -126.49 175.0 8.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.103 -179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 67.3 mtp85 60.4 36.93 20.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.754 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.83 19.45 67.48 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.457 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.66 -33.96 70.7 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.807 0.336 . . . . 0.0 110.977 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 36' ' ' LEU . 1.0 OUTLIER -64.87 -48.54 73.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.973 -179.886 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -72.26 -38.99 68.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.107 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -30.08 66.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.759 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.69 -24.07 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.175 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.721 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 69.0 m-85 -122.64 74.03 43.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.929 0.395 . . . . 0.0 111.147 -179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.585 ' HB2' HG22 ' A' ' 110' ' ' VAL . 20.0 Cg_endo -60.69 -32.1 92.78 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 122.951 2.434 . . . . 0.0 113.362 -179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 110' ' ' VAL . 0.3 OUTLIER -87.61 7.45 29.74 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -179.21 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.721 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.9 tp -84.07 129.34 34.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.859 0.362 . . . . 0.0 111.19 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.551 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 68.5 t90 -69.86 116.31 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.841 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.52 138.43 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.698 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.426 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 12.5 ptt180 -154.52 166.1 34.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.812 0.339 . . . . 0.0 111.247 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.96 147.98 22.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.526 179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 1.048 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -99.18 142.05 31.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.385 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.446 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.1 p -71.97 167.54 19.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.152 179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.6 -40.56 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.033 0.444 . . . . 0.0 110.315 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -68.07 -42.05 81.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.963 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.465 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 36.6 mt-10 -61.36 -45.29 95.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.503 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.766 ' HA ' HD12 ' A' ' 63' ' ' ILE . 6.5 mtm-85 -60.9 -42.32 97.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.388 179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -57.58 -46.06 84.46 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -68.15 -34.76 76.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.064 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 60' ' ' ARG . 26.5 mt -60.3 -49.98 82.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.099 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 60' ' ' ARG . 22.0 t -63.6 -47.82 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.763 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.1 -42.5 66.03 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.2 p -78.8 -51.19 10.1 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.82 0.304 . . . . 0.0 111.82 -179.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.7 t -76.24 -51.07 12.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 111.426 -179.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.542 ' NE2' HG11 ' A' ' 15' ' ' VAL . 24.6 m170 -100.57 178.15 4.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.438 -179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -152.31 -77.57 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.408 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -32.69 6.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.812 0.339 . . . . 0.0 110.822 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.423 ' HD2' ' CZ ' ' A' ' 81' ' ' TYR . 29.6 mttt 61.11 171.0 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.03 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 17.3 p -83.94 -168.43 2.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.1 mtmt 61.49 166.66 0.1 OUTLIER Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.88 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -51.76 111.38 0.58 Allowed 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.564 2.176 . . . . 0.0 112.361 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -131.73 153.75 49.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 5.7 p -112.83 163.98 13.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.846 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.5 mmtt -90.57 -31.97 16.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.87 -32.04 70.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.909 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -117.91 161.86 19.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -117.6 -105.43 2.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.543 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.423 ' CZ ' ' HD2' ' A' ' 71' ' ' LYS . 6.9 m-85 -140.74 133.14 28.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.831 0.348 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.0 m -137.93 29.25 2.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.66 -51.18 2.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.705 HD22 ' O ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -78.29 -0.31 28.26 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.6 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.41 ' N ' HD13 ' A' ' 84' ' ' LEU . . . -86.03 8.48 20.46 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 111.701 0.26 . . . . 0.0 111.701 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.8 m -86.19 -35.51 20.03 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.828 0.346 . . . . 0.0 110.666 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.14 108.8 1.93 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.647 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.733 HG11 HD13 ' A' ' 63' ' ' ILE . 31.6 t -115.52 119.79 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.3 p -94.86 119.66 33.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.49 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.048 HD11 ' HB2' ' A' ' 55' ' ' ALA . 1.8 mp -96.78 149.14 22.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.041 0.448 . . . . 0.0 111.289 -179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.501 HD21 HD23 ' A' ' 50' ' ' LEU . 1.7 mp -136.05 156.77 48.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.545 179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.551 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 18.3 mmtt -72.28 122.05 20.45 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.844 0.354 . . . . 0.0 110.704 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.479 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -52.88 -38.94 62.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.148 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 0.7 OUTLIER -65.02 -35.03 79.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.903 -179.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.49 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -67.92 -49.39 62.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.015 0.436 . . . . 0.0 110.548 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.647 ' HA ' HD12 ' A' ' 99' ' ' ILE . 25.2 t -63.29 -43.67 98.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.442 179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.2 -44.57 79.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.764 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.1 mm-40 -62.32 -48.37 80.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.053 0.454 . . . . 0.0 110.761 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.688 HD11 HD11 ' A' ' 50' ' ' LEU . 4.3 mt -61.56 -39.18 82.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 13.6 mt -65.64 -35.79 81.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.843 178.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.81 -13.26 59.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.269 178.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.29 3.8 53.69 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.604 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.491 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 11.4 t30 -104.2 111.23 23.74 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 177.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.48 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 5.3 p-10 -168.31 19.0 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -179.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.49 -38.02 73.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.862 0.363 . . . . 0.0 111.103 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -74.1 -21.06 60.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.222 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.48 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 24.7 m-85 -83.64 -33.13 25.34 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-O 120.817 0.341 . . . . 0.0 111.486 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.464 ' HG2' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -78.56 -32.19 47.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.73 -178.485 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.445 ' O ' ' HB ' ' A' ' 110' ' ' VAL . . . -116.19 29.33 8.03 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 112.319 0.488 . . . . 0.0 112.319 -178.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.585 HG22 ' HB2' ' A' ' 48' ' ' PRO . 88.3 t 69.58 -55.8 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.086 0.469 . . . . 0.0 111.345 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.477 ' O ' HG22 ' A' ' 112' ' ' ILE . 4.7 t -159.45 -38.46 0.06 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.286 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.477 HG22 ' O ' ' A' ' 111' ' ' SER . 0.5 OUTLIER 44.83 42.61 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.007 0.432 . . . . 0.0 111.481 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.5 p . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.197 -0.906 . . . . 0.0 110.943 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -87.14 -42.25 13.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.836 0.351 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.4 ttm -74.6 161.09 30.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.887 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.6 mtt 60.52 79.85 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 12.2 ptt? -101.33 -31.62 10.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -168.84 87.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.4 mt -91.71 96.68 10.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.5 m -136.4 144.0 44.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -139.77 -46.53 0.44 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.49 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.9 p -111.34 135.83 51.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.604 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.26 126.53 23.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.298 -179.748 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.69 -170.46 28.09 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 119.764 -1.208 . . . . 0.0 112.834 178.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.45 156.98 35.29 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -68.44 145.13 97.09 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-O 120.652 0.263 . . . . 0.0 110.294 -179.2 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 32.2 Cg_exo -59.82 159.34 25.28 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.368 2.045 . . . . 0.0 112.14 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.777 HG22 ' HG3' ' A' ' 31' ' ' GLU . 16.0 m -72.78 116.43 14.9 Favored 'Isoleucine or valine' 0 C--O 1.239 0.506 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.433 -179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.47 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -112.64 147.88 35.81 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.043 179.77 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.62 ' CE2' HD23 ' A' ' 90' ' ' LEU . 16.5 p90 -147.57 167.92 23.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.915 0.388 . . . . 0.0 111.465 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.457 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.9 OUTLIER -102.98 127.97 49.99 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.239 179.485 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.6 mt -107.61 -23.44 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.551 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 2.3 mm-40 -125.76 143.94 50.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.979 0.418 . . . . 0.0 111.318 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.05 -12.11 24.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.951 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -81.1 3.25 24.06 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 111.953 0.353 . . . . 0.0 111.953 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.94 11.63 54.42 Favored Glycine 0 C--N 1.332 0.344 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.368 179.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.0 OUTLIER -70.07 116.79 10.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.027 0.441 . . . . 0.0 110.7 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.502 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.1 m-85 -112.05 134.29 53.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.102 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.507 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 78.1 m-85 -125.02 166.55 16.16 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.663 179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.47 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.22 148.71 52.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.44 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.738 HD12 HG21 ' A' ' 15' ' ' VAL . 15.3 mt -78.59 122.25 33.28 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 C-N-CA 120.523 -0.471 . . . . 0.0 111.091 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.97 -26.66 42.31 Favored Glycine 0 C--N 1.333 0.387 0 CA-C-N 115.775 -0.648 . . . . 0.0 112.981 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.471 ' H ' HG22 ' A' ' 28' ' ' ILE . 9.8 p -62.78 -42.21 99.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.15 0.5 . . . . 0.0 109.881 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.777 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.5 mm-40 -71.11 -42.66 68.98 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.007 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.904 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.4 t -61.22 -40.8 87.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.347 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.67 -50.77 59.26 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.287 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.5 p30 -66.43 -33.1 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.261 179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.49 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 4.7 t80 -61.12 -42.87 99.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.859 179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.904 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -94.02 -4.51 49.43 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.93 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.57 32.47 4.32 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.504 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.0 mtp -100.99 126.05 47.64 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -126.75 175.0 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.845 0.355 . . . . 0.0 111.223 -179.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.48 39.49 27.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.86 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.27 19.58 62.06 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.398 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.8 m -60.15 -33.83 72.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.843 0.354 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.468 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.8 tp -65.49 -52.07 55.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.587 ' OH ' HG21 ' A' ' 89' ' ' THR . 25.3 m-85 -68.22 -39.04 82.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.011 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -70.31 -33.93 72.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.642 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -84.94 -17.91 36.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.067 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.58 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.5 m-85 -130.36 68.16 80.93 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.948 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.436 ' HB2' ' CG2' ' A' ' 110' ' ' VAL . 24.9 Cg_exo -62.55 -32.31 79.84 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.536 2.158 . . . . 0.0 113.037 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.431 ' HB2' ' HA ' ' A' ' 110' ' ' VAL . 5.2 t -78.11 -1.18 31.26 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.559 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.616 HD11 HD11 ' A' ' 99' ' ' ILE . 9.0 tp -78.12 139.96 39.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.857 0.36 . . . . 0.0 111.185 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.625 ' O ' HD23 ' A' ' 91' ' ' LEU . 70.2 t90 -79.01 117.38 20.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.026 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.63 138.85 36.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.872 179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.452 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -153.05 146.57 25.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.838 0.351 . . . . 0.0 111.295 179.6 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.94 153.16 41.08 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.627 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.988 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -105.19 137.06 43.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.53 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.631 HG23 ' OE1' ' A' ' 59' ' ' GLU . 13.2 p -71.99 171.37 11.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.371 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 31.9 t -61.39 -37.7 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.995 0.426 . . . . 0.0 110.648 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 58.4 mt-10 -70.29 -51.01 33.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.612 179.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.631 ' OE1' HG23 ' A' ' 56' ' ' THR . 69.5 mt-10 -61.28 -46.22 91.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.861 ' HA ' HD12 ' A' ' 63' ' ' ILE . 9.6 ptp180 -60.81 -41.97 96.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.568 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.02 -45.0 87.6 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -68.02 -34.7 76.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.084 178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.861 HD12 ' HA ' ' A' ' 60' ' ' ARG . 34.1 mt -59.78 -42.69 89.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.753 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 1.055 HG22 HD23 ' A' ' 84' ' ' LEU . 24.6 t -64.62 -49.58 79.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.541 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.44 -39.36 67.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.999 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 t -79.05 -51.25 9.83 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 t -75.32 -43.84 48.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.685 0.278 . . . . 0.0 111.599 -179.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.572 ' NE2' HG11 ' A' ' 15' ' ' VAL . 24.4 m170 -108.94 163.59 13.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.02 0.438 . . . . 0.0 111.477 -179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 117.83 -36.45 3.66 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.413 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.1 -31.37 7.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.855 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.35 156.14 28.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 1.6 m 60.33 78.1 0.29 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -80.8 152.31 71.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.938 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.62 -27.38 27.21 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.583 2.189 . . . . 0.0 112.319 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -154.47 -58.53 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -156.71 -45.38 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.989 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mmtt -99.6 -178.78 3.99 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -76.98 153.6 34.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -173.07 -62.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 121.15 -156.25 16.25 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.452 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -120.61 160.22 23.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.815 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.4 t -75.57 -35.26 60.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -150.39 142.6 24.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.769 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 1.055 HD23 HG22 ' A' ' 64' ' ' VAL . 2.2 tp -179.08 -27.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.419 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.58 26.96 0.75 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.835 0.309 . . . . 0.0 111.835 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.3 t -109.37 -36.86 5.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.081 0.467 . . . . 0.0 110.148 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.15 107.51 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.568 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.728 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 23.4 t -117.25 120.01 63.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.272 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.587 HG21 ' OH ' ' A' ' 44' ' ' TYR . 0.2 OUTLIER -95.45 125.92 40.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.602 179.828 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.988 HD11 ' HB2' ' A' ' 55' ' ' ALA . 3.4 mp -101.85 147.05 26.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.937 0.399 . . . . 0.0 111.313 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.625 HD23 ' O ' ' A' ' 51' ' ' TRP . 0.3 OUTLIER -135.55 156.53 48.73 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.753 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.542 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.6 mmtp -74.37 121.13 20.9 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.913 0.387 . . . . 0.0 111.024 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.502 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -49.63 -47.04 50.03 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.622 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 94.2 p -60.66 -37.19 80.74 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.173 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.427 ' OE2' ' CE1' ' A' ' 107' ' ' TYR . 10.3 mt-10 -68.98 -49.21 59.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 110.807 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.693 ' HA ' HD12 ' A' ' 99' ' ' ILE . 17.2 t -61.45 -49.28 85.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.105 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -55.13 -39.74 69.77 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.808 179.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.603 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.8 mm-40 -62.11 -48.55 79.66 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.231 0.538 . . . . 0.0 110.499 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.693 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.8 mt -61.89 -39.11 82.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.733 179.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 29.1 mt -66.75 -33.66 76.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.026 178.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -77.75 -14.58 59.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.957 178.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.64 3.81 52.61 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.624 -0.717 . . . . 0.0 112.589 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.603 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 2.0 t30 -104.22 111.43 24.04 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 177.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.485 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 8.0 p-10 -168.64 18.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -179.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -56.93 -37.67 71.81 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.908 0.385 . . . . 0.0 110.947 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.405 ' HE2' ' CD1' ' A' ' 107' ' ' TYR . 9.0 ptmt -74.08 -22.87 59.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.136 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 25.1 m-85 -81.9 -33.13 30.62 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.492 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.457 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -79.18 -30.55 43.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.355 -178.833 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.443 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -96.56 24.78 5.61 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -178.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.626 ' O ' HG22 ' A' ' 110' ' ' VAL . 14.7 p 42.58 31.56 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.801 0.334 . . . . 0.0 111.597 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.04 -179.0 3.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 111.252 -179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 112' ' ' ILE . 3.6 mp -142.02 30.02 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 p . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.929 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.3 p -95.66 102.84 14.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.868 0.366 . . . . 0.0 110.974 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.23 117.95 5.78 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.53 81.22 1.99 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.63 -169.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -95.61 43.09 1.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.5 mt -133.9 162.36 32.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.8 t -164.04 -43.5 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.054 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.2 mmtm -94.76 -34.88 12.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.926 HG21 HD23 ' A' ' 100' ' ' LEU . 17.1 p -115.29 139.75 49.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.709 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.418 ' O ' ' O ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -127.95 129.43 46.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.44 . . . . 0.0 112.172 -178.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 112.0 -175.93 17.63 Favored Glycine 0 C--N 1.331 0.289 0 C-N-CA 120.391 -0.909 . . . . 0.0 114.462 178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -67.77 157.98 33.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.804 -0.698 . . . . 0.0 111.418 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.465 ' HD3' ' CD1' ' A' ' 100' ' ' LEU . 0.2 OUTLIER -68.31 140.07 92.63 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.029 -179.548 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 26.6 Cg_exo -63.2 159.3 39.9 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.635 2.223 . . . . 0.0 112.116 -179.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.886 HG22 ' HG3' ' A' ' 31' ' ' GLU . 31.0 m -72.72 118.56 18.03 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.273 179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.86 154.88 20.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.698 -179.535 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.576 ' CE2' HD21 ' A' ' 19' ' ' LEU . 17.2 p90 -153.29 169.34 23.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.816 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.419 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.64 127.98 49.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.704 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.769 HD12 ' CD2' ' A' ' 26' ' ' TYR . 68.4 mt -103.53 -31.08 10.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.048 -179.759 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.0 147.78 46.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.016 0.436 . . . . 0.0 111.176 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -66.05 -11.81 51.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.857 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -81.06 3.53 22.94 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.102 0.408 . . . . 0.0 112.102 -178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.38 19.47 27.78 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.426 -0.892 . . . . 0.0 113.36 179.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -76.88 117.0 18.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.821 0.343 . . . . 0.0 110.546 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.419 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.6 m-85 -112.08 132.28 54.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.349 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.769 ' CD2' HD12 ' A' ' 19' ' ' LEU . 77.8 m-85 -124.03 166.53 15.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.606 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.423 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.37 148.12 52.63 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.55 179.82 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.697 HG13 HG23 ' A' ' 15' ' ' VAL . 18.5 mt -72.14 121.38 22.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.41 0 CA-C-O 121.259 0.552 . . . . 0.0 111.258 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.427 ' HA2' HD13 ' A' ' 91' ' ' LEU . . . -54.84 -33.38 56.12 Favored Glycine 0 C--N 1.333 0.382 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.784 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.414 ' H ' HG22 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -59.8 -40.45 88.36 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.209 0.528 . . . . 0.0 109.808 179.111 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.886 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.1 mm-40 -66.45 -45.06 81.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.687 179.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.737 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.8 t -60.48 -40.42 84.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.196 178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.56 -50.22 69.14 Favored Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.91 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 18.4 p30 -62.7 -32.77 73.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.048 0.451 . . . . 0.0 110.133 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.552 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -59.61 -43.59 93.71 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.563 179.702 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.737 HD12 ' O ' ' A' ' 32' ' ' VAL . 2.4 mp -99.96 1.4 42.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.635 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.01 26.72 7.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.357 179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 5.5 mtt -101.01 125.98 47.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.848 0.356 . . . . 0.0 110.252 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -126.84 174.75 8.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 55.41 36.49 27.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.995 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.51 22.59 78.88 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.65 -0.785 . . . . 0.0 112.497 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.71 -33.89 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.89 0.376 . . . . 0.0 110.83 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.667 ' CD1' HD13 ' A' ' 36' ' ' LEU . 2.9 tp -64.97 -52.01 58.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.481 ' CE1' HD11 ' A' ' 91' ' ' LEU . 32.1 m-85 -65.26 -37.42 87.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.981 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 mttp -65.99 -34.21 77.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -92.43 -11.62 34.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.214 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.542 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 72.8 m-85 -133.03 66.73 76.61 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 120.69 0.281 . . . . 0.0 110.828 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.464 ' HB2' ' HB ' ' A' ' 110' ' ' VAL . 24.5 Cg_exo -62.73 -32.02 78.51 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.506 2.137 . . . . 0.0 112.813 -179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.464 ' CB ' ' HA ' ' A' ' 107' ' ' TYR . 0.6 OUTLIER -76.51 -1.36 26.91 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 111.613 0.227 . . . . 0.0 111.613 -179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.851 HD11 HD11 ' A' ' 99' ' ' ILE . 3.2 tp -82.32 132.94 35.22 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.763 0.316 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.586 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.6 t90 -69.98 122.0 18.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.92 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -139.41 138.79 36.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.883 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.485 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 9.2 mtm180 -151.63 166.21 31.95 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.158 0.504 . . . . 0.0 111.893 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.75 150.37 21.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.444 179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.932 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -83.53 121.88 27.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.08 0.467 . . . . 0.0 112.166 -179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.1 p -71.98 171.88 11.03 Favored 'General case' 0 C--O 1.224 -0.263 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.706 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.553 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 21.0 t -55.73 -40.89 63.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.125 0.488 . . . . 0.0 110.794 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -47.11 63.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.301 179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.556 ' HG2' HD22 ' A' ' 19' ' ' LEU . 86.4 mt-10 -60.11 -45.25 93.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.077 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.844 ' HA ' HD12 ' A' ' 63' ' ' ILE . 1.1 ptm180 -60.94 -45.43 94.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.722 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.483 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -57.73 -38.38 75.21 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 178.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.483 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 6.5 mttt -68.51 -35.15 77.08 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.695 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 60' ' ' ARG . 15.1 mt -71.17 -26.49 27.24 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.141 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.384 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.557 HG23 ' O ' ' A' ' 60' ' ' ARG . 58.3 t -60.54 -50.59 79.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.851 -0.425 . . . . 0.0 109.851 179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.26 -37.2 66.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.378 0.608 . . . . 0.0 110.154 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.513 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 6.6 m -77.57 -12.6 59.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.78 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.544 ' N ' ' O ' ' A' ' 63' ' ' ILE . 94.4 p -53.47 -11.84 0.38 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.535 ' HB2' ' O ' ' A' ' 67' ' ' SER . 71.1 m80 71.04 157.58 0.17 Allowed 'General case' 0 C--N 1.333 -0.135 0 CA-C-O 120.909 0.385 . . . . 0.0 111.116 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -151.1 21.96 0.98 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.617 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -117.12 -36.22 3.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.811 0.339 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.8 mmtt -66.51 -31.84 72.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 62.3 m -85.11 159.44 20.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.95 115.72 29.12 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.73 -27.16 32.78 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.434 2.089 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -59.92 -52.61 64.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -60.16 -80.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.024 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 mmtm -140.56 123.86 16.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -176.6 104.34 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.931 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -144.99 -47.71 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -163.43 130.74 2.29 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.415 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 81' ' ' TYR . 38.2 p90 -97.2 128.73 44.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.966 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.44 HG22 ' O ' ' A' ' 82' ' ' THR . 7.2 m -145.84 15.92 1.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.305 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -126.57 -15.65 5.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.49 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.741 HD21 HG22 ' A' ' 63' ' ' ILE . 2.5 tt -78.31 0.39 25.61 Favored 'General case' 0 CA--C 1.53 0.193 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.3 -25.72 5.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.613 0.244 . . . . 0.0 111.563 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -39.2 69.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.353 . . . . 0.0 111.044 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -159.35 113.02 2.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.076 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.424 ' HB ' ' CB ' ' A' ' 55' ' ' ALA . 3.9 t -123.9 129.04 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.13 122.48 34.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.613 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.932 HD11 ' HB2' ' A' ' 55' ' ' ALA . 4.4 mp -108.69 149.03 29.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.139 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.558 HD21 HD23 ' A' ' 50' ' ' LEU . 2.6 mp -136.07 156.68 48.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.732 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.586 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 7.6 mmtt -77.13 122.47 25.04 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.889 0.376 . . . . 0.0 110.764 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.25 -32.87 17.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.193 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.29 -42.58 96.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.032 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.446 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 2.4 mm-40 -67.13 -49.23 65.59 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 120.973 0.416 . . . . 0.0 110.602 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.608 ' HA ' HD12 ' A' ' 99' ' ' ILE . 14.7 t -61.44 -50.25 81.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.605 179.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -54.8 -39.83 68.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.932 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.646 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.4 mm-40 -62.83 -48.32 79.57 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.217 0.532 . . . . 0.0 110.688 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.851 HD11 HD11 ' A' ' 50' ' ' LEU . 4.3 mt -61.88 -39.41 83.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-N 116.174 -0.466 . . . . 0.0 109.761 179.257 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.926 HD23 HG21 ' A' ' 9' ' ' THR . 15.3 mt -65.57 -34.43 78.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.039 178.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.67 -14.68 59.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.916 179.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.45 3.76 53.2 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.623 -0.717 . . . . 0.0 112.425 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.646 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 12.4 t30 -104.2 111.31 23.87 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 177.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.521 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 18.2 p-10 -165.84 15.06 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 112.581 0.586 . . . . 0.0 112.581 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -56.1 -39.22 71.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.9 0.381 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -68.87 -26.32 65.07 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.749 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.521 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 18.8 m-85 -82.21 -38.42 24.58 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.561 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -75.13 -17.67 60.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.51 -179.129 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.428 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -116.01 20.07 14.65 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.527 0.566 . . . . 0.0 112.527 -178.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.578 ' O ' HG22 ' A' ' 110' ' ' VAL . 14.9 p 42.64 42.37 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-O 120.949 0.404 . . . . 0.0 111.446 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.7 t -44.37 -82.24 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.857 -179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.6 mt -144.38 84.74 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.262 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.236 -0.888 . . . . 0.0 110.853 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 112.591 -0.204 . . . . 0.0 112.591 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.27 94.86 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.796 0.332 . . . . 0.0 110.905 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.2 ttt -126.15 -44.64 1.74 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.73 172.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.904 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.3 mtt -152.11 123.1 7.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.831 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.33 155.68 24.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.405 HD12 ' OG ' ' A' ' 7' ' ' SER . 0.3 OUTLIER -138.05 -46.4 0.52 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.05 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.405 ' OG ' HD12 ' A' ' 6' ' ' LEU . 14.1 m -120.67 117.61 27.97 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.834 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.95 -30.23 6.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.174 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.474 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 1.9 p -124.45 135.85 53.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.845 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.32 126.41 22.76 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.235 -179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.5 -170.45 28.36 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 119.742 -1.218 . . . . 0.0 112.957 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -67.67 157.05 35.47 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 4.4 tppp? -68.43 145.2 97.14 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 32.0 Cg_exo -59.82 158.27 29.61 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.324 2.016 . . . . 0.0 112.071 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.747 HG22 ' HG3' ' A' ' 31' ' ' GLU . 12.6 m -72.76 119.21 19.14 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.26 0.552 . . . . 0.0 111.786 -179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.15 160.3 18.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.311 -0.859 . . . . 0.0 109.933 179.383 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.713 ' CE2' HD23 ' A' ' 90' ' ' LEU . 19.3 p90 -158.81 168.04 27.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.938 0.399 . . . . 0.0 111.291 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.449 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.84 128.01 49.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.507 179.617 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.712 HD11 HD22 ' A' ' 90' ' ' LEU . 6.4 mt -107.64 -22.52 12.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.208 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 3.4 mm-40 -127.02 143.92 51.16 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.956 0.408 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -65.72 -11.87 49.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.739 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -81.1 0.51 35.8 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.37 26.01 9.71 Favored Glycine 0 C--N 1.33 0.219 0 C-N-CA 120.455 -0.879 . . . . 0.0 113.239 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.423 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 17.1 mm-40 -84.31 116.87 23.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.876 0.338 . . . . 0.0 110.67 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.5 m-85 -111.68 134.12 53.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.028 0.442 . . . . 0.0 111.023 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 88.0 m-85 -124.95 166.52 16.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.482 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.437 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -132.75 147.21 52.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.547 -179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.694 HD12 HG21 ' A' ' 15' ' ' VAL . 12.3 mt -77.86 121.21 30.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.109 0.481 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.91 -26.43 41.02 Favored Glycine 0 C--N 1.333 0.372 0 CA-C-N 115.83 -0.623 . . . . 0.0 113.039 -178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.427 ' H ' HG22 ' A' ' 28' ' ' ILE . 1.0 OUTLIER -63.11 -42.51 99.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.084 0.469 . . . . 0.0 109.899 179.157 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.747 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.8 mm-40 -71.35 -41.45 69.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.071 179.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.921 ' O ' HD12 ' A' ' 36' ' ' LEU . 32.8 t -62.59 -40.74 89.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.377 179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.71 -50.75 59.26 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.357 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.0 p30 -64.97 -32.99 74.98 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.03 179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.5 t80 -61.37 -42.95 99.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.768 179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.921 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -92.91 -4.13 53.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.945 179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 5.9 ttt85 68.75 31.85 4.32 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.547 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 10.4 mmm -101.61 126.18 48.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.085 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -126.6 174.97 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.126 -179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 57.74 33.76 23.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.804 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.13 19.11 79.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.493 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.1 m -58.37 -33.82 70.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.769 0.319 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.59 ' CD1' HD13 ' A' ' 36' ' ' LEU . 5.5 tp -64.83 -49.24 71.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.753 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -71.45 -35.14 70.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.779 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.1 -34.74 75.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.324 179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.4 tpp180 -86.71 -18.48 31.11 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.73 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.509 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 99.4 m-85 -135.18 60.73 41.4 Favored Pre-proline 0 CA--C 1.531 0.229 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.625 ' HG2' HG11 ' A' ' 110' ' ' VAL . 21.0 Cg_exo -64.96 -28.16 58.07 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.367 2.045 . . . . 0.0 112.62 -179.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.74 -3.77 45.92 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.749 HD11 ' HB3' ' A' ' 95' ' ' GLU . 7.6 tp -75.55 140.54 42.78 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.529 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.526 ' CH2' ' CE2' ' A' ' 26' ' ' TYR . 78.0 t90 -69.29 122.29 18.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.767 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.12 138.63 37.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.783 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.424 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 4.5 mtt-85 -149.69 166.03 30.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.195 0.522 . . . . 0.0 111.639 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.13 151.88 19.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.41 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 1.002 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -107.62 133.74 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.049 0.452 . . . . 0.0 111.715 -179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.4 p -71.91 171.38 11.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.445 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.58 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 37.7 t -59.52 -33.45 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.152 0.501 . . . . 0.0 110.211 179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -70.48 -46.81 63.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.724 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -62.66 -47.83 81.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.96 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.949 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 1.0 OUTLIER -60.77 -39.03 87.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.201 179.792 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.401 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -58.05 -48.17 80.9 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 178.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.96 -34.68 77.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.304 178.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 60' ' ' ARG . 33.1 mt -59.77 -41.04 84.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.959 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 60' ' ' ARG . 41.0 t -70.88 -49.6 49.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.663 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.33 -42.17 65.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -78.41 -51.23 10.35 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -75.67 -43.76 45.85 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -179.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.552 ' NE2' HG11 ' A' ' 15' ' ' VAL . 21.1 m170 -106.18 156.02 18.87 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.103 0.478 . . . . 0.0 111.47 -179.304 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 157.53 -96.52 0.15 Allowed Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.545 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.19 108.88 17.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.794 0.33 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 mttm -117.87 -34.83 4.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.102 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 p -92.87 173.19 7.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.993 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 14.4 mttt -69.12 -61.38 3.45 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.034 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.427 ' HD2' ' N ' ' A' ' 73' ' ' LYS . 35.3 Cg_endo -65.14 108.32 1.12 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.488 2.126 . . . . 0.0 112.259 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -137.46 113.82 10.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.29 -47.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 22.2 mmtt -57.23 144.87 33.71 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.945 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.8 105.08 9.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.802 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -120.84 170.64 9.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.848 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.64 -40.09 7.39 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 62.17 118.37 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.864 0.364 . . . . 0.0 110.834 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.3 m -145.65 78.68 1.55 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.093 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.635 ' HB ' HD13 ' A' ' 84' ' ' LEU . 94.7 m -112.0 -23.03 10.74 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.671 HD13 ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -149.08 62.85 1.04 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.036 0.446 . . . . 0.0 111.105 179.674 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.949 ' HB1' ' CZ ' ' A' ' 60' ' ' ARG . . . -113.05 -27.23 8.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.372 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.01 -36.91 69.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 92.6 p -158.98 113.24 2.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.679 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 12.6 t -111.46 127.27 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.26 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.1 p -90.89 114.46 26.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.232 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.002 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.3 mp -96.91 147.22 24.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.07 0.462 . . . . 0.0 111.626 -179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.715 HD12 ' O ' ' A' ' 90' ' ' LEU . 11.0 mp -135.27 156.32 49.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.484 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.508 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 15.6 mmtt -69.99 121.59 17.7 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.867 0.365 . . . . 0.0 110.824 -179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.89 -50.39 57.32 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.5 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.425 ' O ' ' CG ' ' A' ' 98' ' ' GLU . 39.5 p -56.53 -33.91 66.52 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.078 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.749 ' HB3' HD11 ' A' ' 50' ' ' LEU . 19.4 mt-10 -67.58 -49.47 63.03 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.921 0.391 . . . . 0.0 110.791 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.734 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.2 t -63.38 -34.8 69.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.314 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.1 -45.1 95.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.326 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 1.7 mt-10 -62.03 -48.29 80.96 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-O 121.383 0.611 . . . . 0.0 110.673 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.917 HG23 ' OD2' ' A' ' 104' ' ' ASP . 3.6 mt -61.68 -38.94 81.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.695 179.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 14.6 mt -65.75 -35.31 80.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.55 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.55 -15.88 58.99 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.209 0.528 . . . . 0.0 109.795 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.89 3.06 52.26 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.33 -0.85 . . . . 0.0 112.57 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.453 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 18.5 p-10 -105.15 110.68 23.16 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 176.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.917 ' OD2' HG23 ' A' ' 99' ' ' ILE . 22.5 p30 -160.13 8.65 0.1 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.414 ' HA ' ' HG3' ' A' ' 108' ' ' LYS . 8.8 mt-10 -51.67 -31.91 27.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.688 0.28 . . . . 0.0 111.403 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.44 ' HD2' ' CZ ' ' A' ' 107' ' ' TYR . 1.8 ptpp? -67.97 -33.74 75.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.985 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.481 ' CE2' ' HG2' ' A' ' 95' ' ' GLU . 19.5 m-85 -81.06 -31.08 34.61 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -84.86 -5.83 59.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.736 -179.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -103.82 30.61 4.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.955 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.625 HG11 ' HG2' ' A' ' 48' ' ' PRO . 12.4 p -39.46 -32.21 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.3 136.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.961 0.41 . . . . 0.0 110.973 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.584 HG22 ' O ' ' A' ' 112' ' ' ILE . 2.9 mt -112.61 36.97 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.04 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 9.6 p . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.936 -179.89 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.167 0 N-CA-C 112.553 -0.219 . . . . 0.0 112.553 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.1 m -111.33 136.78 49.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.833 0.349 . . . . 0.0 110.832 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 60.83 174.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -168.29 120.28 0.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.55 96.96 4.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -79.67 110.84 15.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.053 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -152.22 135.82 16.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.965 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -144.96 156.36 43.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.674 ' HE3' ' HZ3' ' A' ' 108' ' ' LYS . 23.9 mmtm 63.84 -76.29 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.732 HG21 ' HA ' ' A' ' 100' ' ' LEU . 4.3 p -96.29 135.96 37.42 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.74 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.415 ' O ' ' O ' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -128.89 129.84 46.05 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.2 0.445 . . . . 0.0 112.2 -178.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 109.43 -175.39 18.87 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.453 -0.88 . . . . 0.0 114.51 177.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -67.77 158.09 33.22 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 114.729 -0.736 . . . . 0.0 111.437 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.473 ' HD2' ' CD1' ' A' ' 100' ' ' LEU . 0.7 OUTLIER -68.29 141.55 93.8 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.069 -179.579 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 24.1 Cg_exo -64.43 160.22 40.4 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.596 2.197 . . . . 0.0 112.288 -179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.88 HG22 ' HG3' ' A' ' 31' ' ' GLU . 26.4 m -72.66 117.8 16.78 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.271 179.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.473 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.67 156.74 18.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.587 -179.358 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.752 ' CZ ' HD23 ' A' ' 90' ' ' LEU . 24.5 p90 -155.4 166.48 33.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.141 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.444 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.85 127.86 49.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.384 179.527 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.52 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.5 mt -108.94 -25.72 10.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.171 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -120.1 143.84 47.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.892 0.377 . . . . 0.0 111.013 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -66.69 -12.06 56.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.713 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -81.33 -0.02 39.18 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.789 0.292 . . . . 0.0 111.789 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 99.1 25.98 9.18 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.432 -0.89 . . . . 0.0 113.135 179.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.3 mm-40 -82.32 116.73 21.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.893 0.378 . . . . 0.0 110.573 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.444 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 7.1 m-85 -111.0 131.75 54.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.172 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.531 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 88.2 m-85 -124.63 166.5 16.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.662 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.413 ' HE3' ' CE ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -130.99 148.79 52.79 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.42 179.785 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.667 HG13 HG23 ' A' ' 15' ' ' VAL . 14.4 mt -75.44 123.31 31.05 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-O 121.333 0.587 . . . . 0.0 111.238 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.9 -29.94 52.12 Favored Glycine 0 C--N 1.333 0.406 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.891 -179.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.436 ' H ' HG22 ' A' ' 28' ' ' ILE . 72.7 m -61.88 -41.27 97.67 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.213 0.53 . . . . 0.0 109.828 179.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.88 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.1 mm-40 -67.52 -44.68 77.83 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.812 179.194 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.824 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.8 t -60.79 -40.5 85.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.089 178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.58 -50.22 69.2 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.968 179.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.477 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 18.8 p30 -62.64 -32.88 74.0 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.991 0.424 . . . . 0.0 110.118 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.477 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 0.4 OUTLIER -59.55 -43.51 93.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.474 179.701 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.861 HD13 ' CD1' ' A' ' 43' ' ' LEU . 2.7 mp -99.61 1.29 43.52 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.526 -0.307 . . . . 0.0 111.687 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.73 26.35 9.56 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.39 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 125.93 47.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.842 0.353 . . . . 0.0 110.32 179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -126.9 174.43 8.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.4 mtp85 54.75 43.4 30.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.967 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.86 21.74 71.56 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.554 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 m -66.4 -33.78 76.47 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.821 0.343 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.861 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.5 tp -64.84 -50.71 65.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.761 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.429 ' HE1' HD11 ' A' ' 91' ' ' LEU . 30.0 m-85 -66.36 -36.45 82.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.95 -37.64 88.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.608 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -90.36 -12.75 36.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.167 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.48 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.6 m-85 -135.36 62.76 52.1 Favored Pre-proline 0 CA--C 1.531 0.245 0 CA-C-O 120.746 0.308 . . . . 0.0 110.999 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.705 ' HG2' HG22 ' A' ' 110' ' ' VAL . 39.4 Cg_exo -60.5 -31.98 93.09 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.661 2.241 . . . . 0.0 112.913 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.58 -14.88 61.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.453 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.889 HD11 HD11 ' A' ' 99' ' ' ILE . 3.6 tp -67.2 132.97 48.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 111.115 -179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.603 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 68.1 t90 -69.84 117.3 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.62 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -139.56 138.89 36.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.025 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.432 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 6.4 ptt180 -152.84 156.63 39.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.841 0.353 . . . . 0.0 111.208 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.86 153.09 27.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.812 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 1.065 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -108.85 135.35 50.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.03 0.443 . . . . 0.0 111.627 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.712 HG23 ' OE1' ' A' ' 59' ' ' GLU . 6.2 p -74.84 171.42 14.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.807 179.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 39.5 t -54.3 -49.24 65.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.333 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -62.09 -38.31 88.38 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.208 0.528 . . . . 0.0 109.684 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.712 ' OE1' HG23 ' A' ' 56' ' ' THR . 17.7 mt-10 -61.27 -46.92 88.35 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.758 179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.708 ' HA ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -60.88 -38.4 85.51 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.672 0.272 . . . . 0.0 110.299 179.793 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.497 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 10.5 mttp -58.17 -48.71 79.43 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.625 -0.509 . . . . 0.0 109.625 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mtpp -68.1 -34.7 76.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.352 178.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.834 HD13 HG11 ' A' ' 88' ' ' VAL . 30.8 mt -61.2 -51.27 75.09 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.117 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 60' ' ' ARG . 35.4 t -62.64 -46.87 95.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.681 -179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.14 -45.09 61.91 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.1 m -74.47 -51.18 15.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.779 -179.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.9 t -72.76 -56.07 5.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.507 -179.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.534 ' NE2' HG11 ' A' ' 15' ' ' VAL . 27.0 m170 -97.36 163.76 12.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.641 -179.111 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 163.94 72.43 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.345 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 9.0 mptt 62.42 114.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.774 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.94 -177.06 6.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -75.64 103.4 5.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.9 147.15 63.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -52.84 -27.78 36.12 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.541 2.161 . . . . 0.0 112.323 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -80.82 120.33 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.832 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.58 -37.1 4.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.017 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.4 mmtp -87.22 -34.06 19.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.973 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -109.17 161.64 15.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -129.9 107.61 9.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -111.35 63.68 0.27 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 21.2 p90 -84.01 -29.64 26.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.755 0.312 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -76.58 77.72 3.26 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.805 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.695 ' C ' HD13 ' A' ' 84' ' ' LEU . 8.4 m -122.79 -1.96 8.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.527 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.722 HD13 ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -149.94 77.96 1.33 Allowed 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.85 0.357 . . . . 0.0 111.179 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.516 ' HB1' ' HD3' ' A' ' 60' ' ' ARG . . . -123.82 -36.03 2.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.332 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.92 -32.44 67.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.673 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.4 m -159.13 108.03 1.88 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.834 HG11 HD13 ' A' ' 63' ' ' ILE . 29.0 t -111.21 122.32 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.751 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 54.7 p -90.85 121.06 32.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.684 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.065 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.2 mp -101.82 146.07 28.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.222 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.468 HD21 HD23 ' A' ' 50' ' ' LEU . 3.9 mp -136.49 150.47 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.398 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.603 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 5.5 mmmt -73.67 122.44 22.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.896 0.379 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.83 -34.02 18.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.362 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.4 m -63.1 -42.65 99.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.014 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.476 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 1.5 mm-40 -68.01 -49.42 61.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.913 0.387 . . . . 0.0 110.694 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.591 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.4 t -61.82 -50.09 81.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.825 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -54.73 -42.18 71.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.741 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.522 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -60.82 -48.54 81.34 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 120.983 0.42 . . . . 0.0 110.938 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.889 HD11 HD11 ' A' ' 50' ' ' LEU . 4.2 mt -61.97 -39.26 83.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.732 ' HA ' HG21 ' A' ' 9' ' ' THR . 6.5 mt -63.91 -36.97 85.67 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.094 178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -77.38 -14.06 59.8 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.24 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.33 3.83 53.53 Favored Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.709 -0.678 . . . . 0.0 112.557 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.522 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.8 OUTLIER -104.16 110.86 23.21 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 177.822 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 14.0 p-10 -164.21 15.59 0.05 Allowed 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -53.81 -44.1 69.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.999 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.53 -29.44 70.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.552 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.472 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 18.4 m-85 -80.24 -43.93 20.57 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.358 -179.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.674 ' HZ3' ' HE3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -69.5 -11.96 61.26 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.135 -179.688 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.443 ' O ' ' HB ' ' A' ' 110' ' ' VAL . . . -95.01 23.16 5.83 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.705 HG22 ' HG2' ' A' ' 48' ' ' PRO . 95.6 t 69.97 -55.84 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.899 0.38 . . . . 0.0 111.414 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.5 m -133.79 164.62 26.83 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.906 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.5 mt -72.7 -32.5 41.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.062 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.3 121.26 25.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.85 0.357 . . . . 0.0 110.911 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.5 ttp -79.09 -68.6 0.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.75 151.68 22.72 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.818 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.9 mtm -171.79 35.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -159.38 150.84 20.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 6' ' ' LEU . 0.5 OUTLIER -142.94 117.1 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.35 170.89 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.947 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -128.03 107.38 9.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.786 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.504 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 4.1 p -151.83 141.06 21.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.581 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.432 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -138.14 126.29 22.9 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.512 -179.699 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.38 -170.81 28.85 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 119.976 -1.107 . . . . 0.0 112.988 178.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 pm0 -67.91 157.01 35.93 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -68.78 142.38 93.65 Favored Pre-proline 0 C--N 1.328 -0.366 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.436 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 27.0 Cg_exo -60.23 162.32 17.38 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.124 1.883 . . . . 0.0 111.679 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.779 HG22 ' HG3' ' A' ' 31' ' ' GLU . 24.3 m -75.86 120.87 26.57 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 CA-C-O 121.366 0.603 . . . . 0.0 112.282 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.495 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -114.03 152.04 31.55 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.712 179.13 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' HE1' HD21 ' A' ' 90' ' ' LEU . 17.3 p90 -152.41 169.23 23.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 111.262 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.469 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.7 OUTLIER -102.92 128.2 49.82 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.379 179.691 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.6 mt -109.03 -19.87 13.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.459 -179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 3.1 mm-40 -129.24 143.96 51.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.929 0.395 . . . . 0.0 111.212 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -63.56 -12.02 29.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.989 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 p30 -81.22 3.08 25.07 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.3 10.21 56.09 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.541 -0.838 . . . . 0.0 113.359 179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 2.0 tt0 -69.22 116.7 9.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.96 0.41 . . . . 0.0 110.766 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.469 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 5.4 m-85 -111.32 132.86 54.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.206 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.566 ' CB ' HD23 ' A' ' 90' ' ' LEU . 85.4 m-85 -122.85 166.58 14.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.617 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.495 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 6.3 mtm -133.81 148.28 51.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.452 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.689 HG13 HG23 ' A' ' 15' ' ' VAL . 11.5 mt -75.0 119.29 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.082 0.468 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.61 -32.06 53.36 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.78 -0.646 . . . . 0.0 113.111 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.6 p -62.48 -39.64 94.11 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.779 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -69.08 -40.49 78.4 Favored 'General case' 0 CA--C 1.519 -0.247 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.055 179.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.916 ' O ' HD12 ' A' ' 36' ' ' LEU . 33.1 t -66.03 -40.76 88.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.472 179.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.0 -50.75 64.06 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.402 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.417 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 9.2 p30 -65.26 -33.07 75.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.031 179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.504 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 5.0 t80 -59.82 -42.78 94.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.719 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.916 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.4 mp -95.27 -3.41 47.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.883 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.61 29.69 5.35 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.289 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -102.28 126.07 49.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.14 179.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -126.59 175.13 8.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.174 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 58.72 42.74 19.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.005 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.37 25.08 62.26 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.426 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -64.99 -33.9 77.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.322 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.697 ' CD1' HD13 ' A' ' 36' ' ' LEU . 1.5 tp -64.81 -45.74 84.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.95 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.549 ' HE2' HD11 ' A' ' 91' ' ' LEU . 25.0 m-85 -70.54 -39.14 74.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.997 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.96 -41.31 91.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.749 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.411 ' HB3' ' CD1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -75.19 -28.06 59.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.882 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.56 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 58.9 m-85 -125.56 73.83 68.88 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.69 -179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.412 ' HB2' ' CG2' ' A' ' 110' ' ' VAL . 21.6 Cg_exo -64.39 -29.14 62.87 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.543 2.162 . . . . 0.0 112.277 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.415 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . 0.6 OUTLIER -80.15 -2.65 45.56 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.435 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.577 ' CD1' HD11 ' A' ' 99' ' ' ILE . 7.3 tp -78.84 131.69 36.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.88 0.371 . . . . 0.0 111.246 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 71.4 t90 -69.97 116.15 10.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.043 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 7.0 ppt_? -139.6 138.34 36.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.697 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.617 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.56 163.31 40.4 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.845 0.355 . . . . 0.0 111.586 179.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -96.26 135.37 38.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.459 179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.893 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -83.96 143.48 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.957 0.408 . . . . 0.0 111.644 -179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.448 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.9 p -72.98 168.49 18.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.095 179.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.7 t -53.64 -39.34 37.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.181 0.515 . . . . 0.0 110.326 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -68.33 -44.39 75.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.073 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.637 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 26.1 mt-10 -60.51 -44.19 96.28 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.601 179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.824 ' HA ' HD12 ' A' ' 63' ' ' ILE . 7.0 mtm-85 -61.02 -43.54 98.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.436 179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.68 -44.52 85.84 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 179.19 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -34.82 77.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.971 178.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.826 HD13 HG11 ' A' ' 88' ' ' VAL . 29.5 mt -59.72 -44.0 92.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.696 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.831 HG22 ' CD2' ' A' ' 84' ' ' LEU . 22.2 t -62.58 -49.97 81.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.577 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.71 -45.1 60.51 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.28 -51.41 15.36 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -178.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 5.3 t -64.65 -56.06 16.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.646 0.26 . . . . 0.0 111.58 -179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.735 ' CD2' HG11 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -174.27 -92.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.247 -179.49 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.409 ' O ' ' CE1' ' A' ' 81' ' ' TYR . . . 108.89 -44.59 1.46 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.419 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 mptt -90.67 -31.95 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.825 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -76.02 0.1 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.996 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 8.1 p 56.81 -178.38 0.05 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.033 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -59.05 109.76 2.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.85 62.27 3.88 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.383 2.055 . . . . 0.0 112.278 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -147.92 -47.47 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.9 p -57.83 177.34 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.833 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 20.5 mmtm -83.32 116.6 22.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 59.53 176.15 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -113.3 100.09 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -106.86 151.48 16.89 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.54 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.447 ' CD2' ' N ' ' A' ' 81' ' ' TYR . 0.1 OUTLIER -117.84 -0.04 11.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.522 0.201 . . . . 0.0 111.225 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.3 t -57.22 -37.38 72.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.787 0.327 . . . . 0.0 110.994 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.42 ' O ' ' HB2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -126.94 123.03 36.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.736 179.825 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.831 ' CD2' HG22 ' A' ' 64' ' ' VAL . 0.7 OUTLIER 178.12 -34.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.855 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.71 45.32 1.26 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.452 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.3 m -112.06 -37.17 5.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.056 0.455 . . . . 0.0 110.607 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 62.4 p -159.04 108.59 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.551 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.826 HG11 HD13 ' A' ' 63' ' ' ILE . 33.2 t -122.38 124.02 69.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.294 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -90.9 131.39 36.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.307 179.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.893 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -114.12 145.2 41.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.025 0.44 . . . . 0.0 111.54 -179.451 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.71 HD12 ' O ' ' A' ' 90' ' ' LEU . 6.4 mp -136.36 154.07 50.94 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.467 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.583 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 13.7 mmtt -76.31 122.27 24.19 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.904 0.383 . . . . 0.0 110.792 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.94 -32.84 22.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.98 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.444 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 7.6 t -64.19 -42.54 96.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.492 ' HB3' HD12 ' A' ' 50' ' ' LEU . 1.8 mm-40 -67.1 -49.28 65.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.662 ' HA ' HD12 ' A' ' 99' ' ' ILE . 7.1 t -62.82 -40.41 88.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.886 179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.43 -45.62 91.03 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.723 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.48 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.1 mm-40 -61.41 -48.01 83.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.76 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.662 HD12 ' HA ' ' A' ' 96' ' ' VAL . 4.2 mt -61.4 -39.28 82.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.974 0.416 . . . . 0.0 109.91 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 12.2 mt -65.4 -35.67 81.63 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.837 178.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -77.89 -13.11 59.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.227 178.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.18 3.86 53.98 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.702 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.48 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 55.9 t30 -104.31 111.18 23.71 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.511 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.8 p-10 -164.87 15.96 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.388 -0.525 . . . . 0.0 112.407 -179.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -55.51 -43.88 76.09 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.932 0.396 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.9 -25.38 68.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 16.9 m-85 -83.75 -46.03 12.69 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.355 -179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -66.09 -14.58 61.99 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.373 -179.422 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.439 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -116.01 24.09 11.72 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.587 ' O ' HG22 ' A' ' 110' ' ' VAL . 14.7 p 42.79 39.72 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.857 0.361 . . . . 0.0 111.601 179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.8 t -52.35 123.8 11.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.177 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 24.8 mm -106.67 -33.51 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.136 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.919 179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.164 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -134.29 140.18 46.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.857 0.36 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 6.7 mtt -75.53 169.27 18.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.872 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 6.9 mtt -105.56 34.11 3.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 4.1 mtt -139.43 30.83 2.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -131.57 131.56 43.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.9 mt -121.06 129.23 53.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.35 127.07 7.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm 71.63 7.12 5.89 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.557 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.492 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 3.0 p -141.19 135.78 31.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.714 0.293 . . . . 0.0 110.657 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.35 126.59 22.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.309 -179.689 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.68 -170.24 27.92 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 119.783 -1.199 . . . . 0.0 112.916 178.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -67.41 156.93 35.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 178.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.0 OUTLIER -68.58 145.27 96.99 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.291 . . . . 0.0 110.227 -179.226 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.6 Cg_exo -59.74 156.96 34.9 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.334 2.023 . . . . 0.0 112.069 -179.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.796 HG22 ' HG3' ' A' ' 31' ' ' GLU . 14.2 m -72.87 116.1 14.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.549 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -108.55 155.83 20.2 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.3 -0.864 . . . . 0.0 109.872 179.441 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.743 ' CE2' HD23 ' A' ' 90' ' ' LEU . 26.2 p90 -152.92 167.65 28.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.985 0.421 . . . . 0.0 111.45 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.431 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -103.06 127.92 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.436 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.692 HD11 HD22 ' A' ' 90' ' ' LEU . 8.1 mt -108.78 -25.95 10.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.085 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -120.67 143.88 48.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.925 0.393 . . . . 0.0 111.001 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -66.53 -12.18 56.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.714 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -0.16 39.88 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 111.781 0.289 . . . . 0.0 111.781 -179.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.58 22.88 10.68 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.456 -0.878 . . . . 0.0 113.094 179.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -78.56 116.87 19.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.778 0.323 . . . . 0.0 110.547 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.491 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 7.1 m-85 -111.6 133.72 53.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.053 0.454 . . . . 0.0 111.03 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 82.1 m-85 -124.84 166.67 15.84 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.475 179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.435 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.62 145.35 51.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.478 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.987 HD13 HD11 ' A' ' 84' ' ' LEU . 13.2 mt -75.46 121.9 28.14 Favored 'Isoleucine or valine' 0 C--O 1.234 0.276 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.733 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.77 -27.33 43.13 Favored Glycine 0 C--N 1.332 0.323 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.035 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.435 ' H ' HG22 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -62.73 -42.31 99.6 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.17 0.509 . . . . 0.0 109.941 179.156 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.796 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -70.83 -43.27 68.9 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.18 179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.891 ' O ' HD12 ' A' ' 36' ' ' LEU . 22.0 t -61.51 -40.67 87.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.5 179.23 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.48 -50.72 60.04 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 20.0 p30 -66.63 -33.03 74.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.002 0.43 . . . . 0.0 110.381 179.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.492 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 5.3 t80 -60.89 -42.9 98.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.782 179.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.891 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.82 -4.1 47.75 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.118 179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 68.66 31.1 4.76 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.527 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.7 mmt -101.35 126.1 48.07 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 178.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -126.77 175.04 8.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.171 -179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 56.9 mtt-85 57.84 44.41 20.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.809 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.28 19.53 46.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.4 m -57.42 -33.9 68.36 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.718 HD11 HD13 ' A' ' 36' ' ' LEU . 0.4 OUTLIER -64.87 -52.06 58.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -68.69 -38.56 80.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.49 -33.57 73.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -88.96 -17.71 28.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.27 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.489 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 89.6 m-85 -131.17 69.36 82.27 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.0 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.424 ' HB2' ' CG2' ' A' ' 110' ' ' VAL . 25.1 Cg_exo -62.58 -32.13 79.65 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.645 2.23 . . . . 0.0 112.801 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.438 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . 0.5 OUTLIER -75.69 -5.06 43.72 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.395 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.731 HD11 HD11 ' A' ' 99' ' ' ILE . 4.0 tp -77.03 134.79 38.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 111.083 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.674 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 64.8 t90 -75.93 120.23 20.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.938 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.7 138.56 36.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.839 179.502 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.674 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.16 158.04 39.76 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 120.839 0.352 . . . . 0.0 111.495 179.413 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.427 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -85.53 136.7 33.3 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 -179.626 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 1.062 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -86.9 133.91 33.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.061 0.457 . . . . 0.0 111.838 -179.664 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.401 ' N ' ' HB2' ' A' ' 59' ' ' GLU . 9.2 p -72.68 171.5 12.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.38 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.509 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 24.5 t -53.89 -49.29 60.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 121.104 0.478 . . . . 0.0 110.445 179.358 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -62.56 -41.2 98.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.765 178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.594 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 1.1 mt-10 -59.61 -45.23 92.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.68 179.439 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.748 ' HA ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -60.86 -38.72 86.52 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.739 0.304 . . . . 0.0 110.231 179.729 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.524 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 9.5 mttp -58.26 -48.5 80.23 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -67.97 -34.7 77.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.419 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.866 HD13 HG11 ' A' ' 88' ' ' VAL . 31.3 mt -60.28 -51.25 75.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.991 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 60' ' ' ARG . 47.9 t -63.11 -44.83 99.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.579 -179.575 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.19 -43.87 63.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.313 -0.403 . . . . 0.0 112.054 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.8 m -78.9 -51.37 9.77 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 -178.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.415 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 2.6 t -69.63 -47.35 63.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.729 0.299 . . . . 0.0 111.471 -179.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.586 ' NE2' HG11 ' A' ' 15' ' ' VAL . 29.7 m80 -108.29 157.94 17.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.051 0.453 . . . . 0.0 111.517 -179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 162.83 91.75 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.573 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.9 110.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.388 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.7 mptt -118.69 -39.17 3.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.008 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.4 125.98 11.74 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.818 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt 61.27 160.39 0.11 Allowed Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.6 143.99 70.71 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.56 2.173 . . . . 0.0 112.301 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -100.49 147.31 26.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.3 p -142.31 -77.98 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.837 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.53 -32.58 11.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.911 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -105.23 172.9 6.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -139.94 -73.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 139.38 58.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.57 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.9 p90 -156.6 135.39 11.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.885 0.374 . . . . 0.0 110.92 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.02 -65.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -137.55 130.89 30.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.836 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.987 HD11 HD13 ' A' ' 28' ' ' ILE . 1.5 tp -175.93 37.04 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.834 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.537 ' HB1' ' HD3' ' A' ' 60' ' ' ARG . . . -133.71 -39.81 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.475 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -71.88 -27.5 62.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.02 108.31 1.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.924 0.393 . . . . 0.0 111.127 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.866 HG11 HD13 ' A' ' 63' ' ' ILE . 48.0 t -117.94 119.91 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.607 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 26.2 p -92.0 116.72 29.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.78 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.062 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.3 mp -100.54 147.4 25.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.285 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.562 HD21 HD23 ' A' ' 50' ' ' LEU . 2.4 mp -134.31 157.07 47.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.555 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.1 mmtp -73.15 121.88 20.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.863 0.364 . . . . 0.0 110.717 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.491 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.17 -43.18 52.17 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.518 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.45 -37.8 82.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.095 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.466 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.1 OUTLIER -68.22 -49.37 61.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.881 0.372 . . . . 0.0 110.831 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.579 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.3 t -62.3 -50.89 78.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.411 179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.84 -38.53 67.54 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.838 179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.629 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.4 mm-40 -63.09 -48.85 76.85 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.267 0.556 . . . . 0.0 110.448 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.731 HD11 HD11 ' A' ' 50' ' ' LEU . 4.2 mt -62.91 -39.19 84.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.017 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 18.2 mt -65.24 -34.39 78.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.905 178.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.82 -15.21 59.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.933 178.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.41 3.95 53.23 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.575 -0.739 . . . . 0.0 112.519 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.629 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 8.4 t30 -104.41 111.24 23.81 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 177.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.494 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 13.9 p-10 -164.41 14.05 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 -179.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -55.24 -38.14 68.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.796 0.331 . . . . 0.0 111.126 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.435 ' HE2' ' CE1' ' A' ' 107' ' ' TYR . 0.9 OUTLIER -68.71 -28.41 66.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.774 179.852 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.466 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 23.7 m-85 -80.19 -46.12 16.88 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.408 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -65.15 -14.97 61.86 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.5 -179.157 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.46 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -115.98 23.58 12.11 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 112.262 0.468 . . . . 0.0 112.262 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.621 ' O ' HG22 ' A' ' 110' ' ' VAL . 12.6 p 42.89 30.68 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.839 0.352 . . . . 0.0 111.546 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.3 t -84.69 165.96 17.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.147 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.6 mm -103.55 -32.8 3.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.274 -0.87 . . . . 0.0 110.862 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.147 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.4 p -170.24 35.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.778 0.323 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 5.4 mmt -81.97 -176.6 6.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.885 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.5 ttm -73.49 175.51 6.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -145.41 159.5 42.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.54 175.56 9.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -109.15 -176.7 3.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.4 t -158.77 143.0 15.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' O ' ' CZ ' ' A' ' 10' ' ' PHE . 19.5 mmtm -64.65 -17.1 63.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.493 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.4 p -92.79 141.34 28.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.787 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.434 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.16 126.31 22.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.418 -179.832 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.29 -170.83 28.99 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 119.854 -1.165 . . . . 0.0 113.004 178.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -67.74 156.99 35.72 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 0.7 OUTLIER -68.85 144.56 96.0 Favored Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 110.158 -0.312 . . . . 0.0 110.158 -179.388 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.423 ' HD2' ' CD ' ' A' ' 13' ' ' LYS . 31.5 Cg_exo -59.71 156.79 35.68 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.264 1.976 . . . . 0.0 111.76 -179.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.857 HG22 ' HG3' ' A' ' 31' ' ' GLU . 13.6 m -72.75 118.23 17.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.532 0 CA-C-O 121.22 0.533 . . . . 0.0 111.62 -179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -111.58 159.93 17.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.197 -0.91 . . . . 0.0 109.759 179.379 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.605 ' HE1' HD21 ' A' ' 90' ' ' LEU . 16.4 p90 -159.26 169.14 24.73 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.901 0.381 . . . . 0.0 111.292 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.99 128.41 49.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.598 179.69 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.495 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.3 mt -109.04 -17.13 13.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.489 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 11.7 mm-40 -132.47 143.87 50.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.955 0.407 . . . . 0.0 111.204 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -65.07 -11.91 44.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.852 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.17 1.53 31.6 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.86 26.01 12.28 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.376 -0.916 . . . . 0.0 113.296 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.2 mt-10 -84.97 116.8 23.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.838 0.351 . . . . 0.0 110.599 179.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.472 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -110.81 132.32 54.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.223 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.501 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 87.0 m-85 -123.47 166.59 15.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.52 179.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.436 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -131.63 150.89 52.0 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.305 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.657 HG13 HG23 ' A' ' 15' ' ' VAL . 12.0 mt -78.97 121.84 32.94 Favored 'Isoleucine or valine' 0 C--O 1.235 0.309 0 CA-C-O 121.008 0.432 . . . . 0.0 110.89 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.84 -32.48 55.36 Favored Glycine 0 C--N 1.332 0.321 0 CA-C-N 115.906 -0.588 . . . . 0.0 113.065 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 56.6 m -60.86 -39.69 90.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.094 0.473 . . . . 0.0 109.926 179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.857 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.1 mm-40 -69.82 -43.58 71.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.2 179.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.627 ' O ' HD12 ' A' ' 36' ' ' LEU . 21.7 t -62.43 -40.91 89.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.551 179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.502 ' HA2' HD13 ' A' ' 43' ' ' LEU . . . -62.25 -50.65 63.02 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.454 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.436 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 11.1 p30 -66.43 -33.05 74.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.032 0.444 . . . . 0.0 110.252 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 4.4 t80 -59.69 -43.11 94.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.82 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mt -95.13 -4.32 46.36 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.805 179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HG2' ' CZ ' ' A' ' 39' ' ' PHE . 2.9 tmt_? 68.53 32.18 4.49 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.496 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.791 ' SD ' HD12 ' A' ' 43' ' ' LEU . 33.6 mtp -101.49 126.14 48.24 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.405 ' CZ ' ' HG2' ' A' ' 37' ' ' ARG . 2.1 m-85 -126.73 174.88 8.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.193 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 mtp85 55.59 44.19 27.03 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.829 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 61.99 18.83 58.09 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.446 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 29.1 t -60.27 -34.05 73.19 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.875 0.369 . . . . 0.0 110.819 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.791 HD12 ' SD ' ' A' ' 38' ' ' MET . 0.6 OUTLIER -64.99 -52.08 58.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.805 179.905 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.433 ' CD2' ' HD3' ' A' ' 52' ' ' ARG . 11.1 m-85 -65.5 -39.01 91.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.81 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -41.9 98.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.73 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.66 -15.32 52.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.122 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.541 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 68.7 m-85 -133.78 66.74 73.68 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HB2' ' HB ' ' A' ' 110' ' ' VAL . 24.9 Cg_exo -62.77 -30.33 77.92 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.595 2.196 . . . . 0.0 112.632 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -80.34 3.81 19.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.537 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.566 ' CD1' HD11 ' A' ' 99' ' ' ILE . 9.2 tp -80.04 132.31 35.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.853 0.359 . . . . 0.0 111.277 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.593 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 68.5 t90 -71.19 116.2 11.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.675 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.433 ' HD3' ' CD2' ' A' ' 44' ' ' TYR . 46.8 ptt85 -139.5 138.71 36.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.842 0.353 . . . . 0.0 111.179 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.483 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -154.35 150.29 27.78 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.163 179.537 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.14 137.98 36.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.413 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.843 ' HB2' HD12 ' A' ' 90' ' ' LEU . . . -87.67 136.3 33.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.467 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.489 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.5 p -71.95 166.25 22.55 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.421 179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.51 -41.25 44.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-O 121.009 0.433 . . . . 0.0 110.513 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.35 -43.87 84.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.837 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -59.93 -44.48 94.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.442 179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.669 ' O ' HG23 ' A' ' 64' ' ' VAL . 36.8 mtm-85 -60.99 -40.2 92.58 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.286 179.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.8 mttm -57.69 -48.58 79.13 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -67.98 -34.88 77.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.123 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 60' ' ' ARG . 30.0 mt -60.85 -51.3 74.8 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.972 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 60' ' ' ARG . 23.3 t -61.45 -42.01 92.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.525 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.38 -45.05 61.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.321 -0.399 . . . . 0.0 112.039 -179.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 33.2 m -79.24 -51.25 9.73 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -178.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.421 ' HG ' ' HD2' ' A' ' 17' ' ' PHE . 8.5 m -61.93 -56.12 22.45 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -179.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.668 ' CD2' HG11 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -173.89 -91.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.552 -0.294 . . . . 0.0 110.937 -179.213 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.459 ' HA3' HG12 ' A' ' 64' ' ' VAL . . . 74.72 96.17 0.12 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.833 -0.699 . . . . 0.0 112.98 179.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 80.5 -23.51 0.23 Allowed 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 112.207 0.447 . . . . 0.0 112.207 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.5 mmtt 62.52 -80.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 25.0 p -110.54 154.01 24.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.774 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.6 tttt -78.39 113.49 34.54 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -57.16 -162.94 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.468 2.112 . . . . 0.0 112.295 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -88.46 -65.96 0.97 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 57.8 p -63.51 179.91 0.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.95 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 3.7 mmtt -112.61 152.46 28.9 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -152.48 -45.24 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.964 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.2 m-70 65.33 36.18 7.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.921 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.34 131.84 2.77 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.429 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.6 p90 -96.93 163.32 13.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.925 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 t -168.63 37.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.663 ' HB ' HD13 ' A' ' 84' ' ' LEU . 6.1 p -81.0 -41.36 22.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.663 HD13 ' HB ' ' A' ' 83' ' ' THR . 0.0 OUTLIER -167.03 46.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 179.441 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.97 21.74 7.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.576 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.4 m -112.1 -39.03 4.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.997 0.427 . . . . 0.0 110.81 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 60.6 p -159.12 111.31 2.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.6 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' CD ' ' A' ' 60' ' ' ARG . 34.7 t -117.85 128.27 75.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.343 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 40.6 p -90.87 129.49 36.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.016 179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.843 HD12 ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -104.71 144.55 31.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.079 0.466 . . . . 0.0 111.639 -179.19 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.813 HD12 ' O ' ' A' ' 90' ' ' LEU . 4.6 mp -140.98 150.53 43.2 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.287 179.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.593 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 3.6 mmmp? -77.59 122.34 25.15 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.951 0.405 . . . . 0.0 110.86 -179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.49 -32.85 19.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.234 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 82.8 p -63.82 -42.68 97.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.563 ' HB3' HD12 ' A' ' 50' ' ' LEU . 1.2 mm-40 -68.08 -49.39 61.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.888 0.375 . . . . 0.0 110.663 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.666 ' HA ' HD12 ' A' ' 99' ' ' ILE . 3.9 t -62.65 -51.24 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.661 179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -55.02 -38.75 68.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.82 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.647 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.2 mm-40 -63.0 -48.79 77.3 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-O 121.223 0.535 . . . . 0.0 110.564 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.2 mt -62.72 -39.35 84.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 19.1 mt -65.41 -34.28 77.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.055 178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.72 -15.34 59.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.853 178.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.47 3.68 53.2 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.481 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.647 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 6.8 t30 -104.5 111.13 23.68 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 177.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.454 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 8.0 p-10 -165.2 14.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.635 0.605 . . . . 0.0 112.635 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -54.98 -38.57 67.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.83 0.347 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.4 pttt -67.76 -29.44 68.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.691 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.441 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.5 m-85 -78.83 -38.49 37.93 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.228 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -76.17 -6.82 53.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.078 -179.522 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.461 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -115.99 12.87 15.8 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.613 ' O ' HG22 ' A' ' 110' ' ' VAL . 12.4 p 43.65 32.48 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-O 120.785 0.326 . . . . 0.0 111.662 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.578 ' O ' HD13 ' A' ' 112' ' ' ILE . 1.6 p -134.73 161.75 34.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.116 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.599 HG22 ' O ' ' A' ' 112' ' ' ILE . 19.4 mm -135.14 30.54 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.0 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.927 -179.88 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.253 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.4 m -95.54 136.9 35.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 9.7 mtt -115.82 -42.64 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.1 ptt? -76.55 167.4 21.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.9 mtt 59.93 170.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.56 40.03 24.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.073 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.1 mt -106.68 -178.17 3.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.845 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -99.37 147.4 25.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.998 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.25 107.74 18.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.78 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.528 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 4.2 p -151.4 135.56 16.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.703 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.4 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.76 126.54 22.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.577 -179.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.09 -170.82 29.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 119.9 -1.143 . . . . 0.0 113.096 178.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -67.84 156.78 36.33 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 tppt? -68.7 139.87 91.52 Favored Pre-proline 0 C--N 1.326 -0.416 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.399 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' CB ' ' HB3' ' A' ' 31' ' ' GLU . 11.0 Cg_endo -59.55 162.48 15.0 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.383 2.056 . . . . 0.0 112.114 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.8 HG21 HD12 ' A' ' 28' ' ' ILE . 12.9 m -72.34 119.12 18.43 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 CA-C-O 121.453 0.644 . . . . 0.0 112.405 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.426 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -115.72 154.33 29.76 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.28 178.736 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.492 ' HE1' HD21 ' A' ' 90' ' ' LEU . 14.3 p90 -156.7 169.22 25.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.991 0.424 . . . . 0.0 111.663 -179.156 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.451 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.91 129.96 49.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.216 179.391 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.476 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.6 mt -109.64 -18.35 13.5 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -179.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 4.8 mm-40 -133.06 145.73 51.04 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.059 0.457 . . . . 0.0 111.378 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -63.57 -11.88 28.29 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.043 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -80.9 1.24 31.76 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 111.854 0.316 . . . . 0.0 111.854 -178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.63 23.06 22.29 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.486 -0.864 . . . . 0.0 113.382 179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.505 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 3.7 mt-10 -80.46 116.72 20.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 0.0 110.606 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.508 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.7 m-85 -110.05 134.59 51.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 91.9 m-85 -128.7 166.56 18.71 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.551 179.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.426 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.93 146.96 51.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.389 179.654 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.8 HD12 HG21 ' A' ' 15' ' ' VAL . 19.0 mt -73.28 121.71 24.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.701 -0.399 . . . . 0.0 110.652 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.586 ' HA2' HD12 ' A' ' 91' ' ' LEU . . . -54.5 -33.13 53.62 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 121.13 -0.557 . . . . 0.0 113.163 -178.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 71.5 p -63.23 -38.56 91.65 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.125 0.488 . . . . 0.0 110.048 179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.737 ' OE1' HG13 ' A' ' 15' ' ' VAL . 3.2 mm-40 -71.73 -43.5 65.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.444 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.831 ' O ' HD12 ' A' ' 36' ' ' LEU . 41.4 t -63.89 -40.74 90.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.073 179.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.26 -50.45 67.47 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.027 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 19.4 p30 -62.51 -33.21 74.43 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.137 179.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.528 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 4.7 t80 -61.27 -43.07 99.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.781 179.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.831 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -91.85 -3.49 56.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.892 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.43 29.97 5.53 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.301 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.5 mtt -101.12 126.35 47.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.117 179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -126.56 172.5 10.2 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.123 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? 57.74 44.16 20.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 62.57 21.5 62.73 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.361 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.2 m -61.57 -33.98 74.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.766 0.317 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.742 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.4 tp -64.84 -49.47 70.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.484 ' HE2' HD21 ' A' ' 91' ' ' LEU . 25.7 m-85 -71.79 -30.45 65.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.768 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.92 -41.37 71.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.405 179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.455 ' C ' ' HD3' ' A' ' 48' ' ' PRO . 0.0 OUTLIER -81.06 -20.83 40.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.839 179.547 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.622 ' CE1' ' HG2' ' A' ' 108' ' ' LYS . 25.8 m-85 -127.9 62.56 57.34 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.1 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.874 ' HG2' HG22 ' A' ' 110' ' ' VAL . 32.9 Cg_exo -62.73 -23.49 74.53 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.41 2.074 . . . . 0.0 112.913 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 p -87.32 8.04 26.12 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 111.643 0.238 . . . . 0.0 111.643 -179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.92 HD11 HD11 ' A' ' 99' ' ' ILE . 2.5 tp -89.46 140.13 29.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.919 0.39 . . . . 0.0 111.117 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.678 ' O ' HD23 ' A' ' 91' ' ' LEU . 70.9 t90 -69.92 119.34 13.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.43 138.16 36.25 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.582 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.561 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.53 157.58 38.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.301 . . . . 0.0 111.307 179.645 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.414 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.4 OUTLIER -97.4 130.74 44.5 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.706 179.894 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.774 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -82.25 149.09 28.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.437 -179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.477 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 16.8 p -71.89 167.47 19.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.278 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.0 t -53.49 -36.79 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 121.165 0.507 . . . . 0.0 110.144 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.77 -42.83 73.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.843 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.774 ' CB ' ' HB1' ' A' ' 55' ' ' ALA . 35.7 mt-10 -61.31 -45.81 92.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.512 179.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.809 ' HA ' HD12 ' A' ' 63' ' ' ILE . 8.0 mtm-85 -60.96 -41.94 97.33 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.423 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -57.72 -45.12 86.21 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -68.24 -34.66 76.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.061 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.859 HD13 HG11 ' A' ' 88' ' ' VAL . 33.8 mt -59.73 -43.57 91.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.15 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.603 HG22 HD23 ' A' ' 84' ' ' LEU . 38.7 t -70.86 -49.51 49.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.815 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.32 -45.01 61.83 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 t -76.74 -51.39 11.53 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.69 -56.18 4.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.656 0.265 . . . . 0.0 111.465 -179.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.521 ' NE2' HG11 ' A' ' 15' ' ' VAL . 31.2 m170 -88.79 177.16 6.79 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.88 0.371 . . . . 0.0 111.158 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 149.29 -89.36 0.14 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.362 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.3 -29.27 7.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 0.0 110.856 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.74 -179.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.935 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 15.3 p -111.77 93.2 4.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.5 mttm -149.61 140.59 14.26 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.783 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.72 -28.37 9.76 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.518 2.145 . . . . 0.0 112.308 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -135.83 138.99 43.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 68.5 p -117.18 148.36 41.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.09 -33.44 7.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.9 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.0 156.27 22.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.1 m170 -81.79 -45.04 16.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -151.79 -163.63 11.63 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.515 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.8 p90 -90.63 173.49 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 110.823 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.31 -40.48 2.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -162.33 144.78 11.14 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.603 HD23 HG22 ' A' ' 64' ' ' VAL . 5.8 tp -177.85 -36.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.55 -13.58 59.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.726 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.36 -39.21 68.27 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.779 0.323 . . . . 0.0 110.995 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 86.0 p -159.11 122.26 3.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.859 HG11 HD13 ' A' ' 63' ' ' ILE . 30.8 t -130.09 119.8 47.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.426 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 36.1 p -90.98 134.22 34.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.073 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.774 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 1.6 mp -114.07 146.41 40.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.998 0.427 . . . . 0.0 111.882 -179.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.843 HD22 HD23 ' A' ' 50' ' ' LEU . 6.6 mt -134.18 154.47 51.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.392 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.544 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 2.1 mmtp -71.41 121.41 18.53 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.934 0.397 . . . . 0.0 110.946 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.508 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -49.16 -53.17 22.27 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.857 -179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.6 m -56.76 -34.1 67.25 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.178 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.588 ' OE2' HD12 ' A' ' 50' ' ' LEU . 6.0 mt-10 -68.64 -49.16 61.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.964 0.411 . . . . 0.0 110.755 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.675 ' HA ' HD12 ' A' ' 99' ' ' ILE . 12.8 t -63.76 -40.23 88.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.248 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.1 -44.71 87.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.805 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.443 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 4.0 mm-40 -63.15 -48.05 80.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.078 0.466 . . . . 0.0 110.627 179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.92 HD11 HD11 ' A' ' 50' ' ' LEU . 5.0 mt -61.13 -39.04 81.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 15.6 mt -67.32 -35.05 78.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.025 178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -77.82 -12.51 59.98 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.31 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.39 3.55 53.52 Favored Glycine 0 N--CA 1.451 -0.363 0 CA-C-N 115.693 -0.685 . . . . 0.0 112.695 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.443 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 7.9 t30 -104.39 110.86 23.28 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.583 ' OD2' HG23 ' A' ' 99' ' ' ILE . 7.1 p-10 -169.62 19.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.327 -0.549 . . . . 0.0 112.457 -179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.75 -33.41 68.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.151 0.501 . . . . 0.0 109.983 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 ptpt -74.31 -27.76 60.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.736 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.465 ' HB3' HD13 ' A' ' 50' ' ' LEU . 27.4 m-85 -81.92 -32.79 30.72 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 121.109 0.48 . . . . 0.0 110.524 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.622 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 12.1 mtpt -88.62 -7.58 56.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.258 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.29 23.12 8.71 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -179.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.874 HG22 ' HG2' ' A' ' 48' ' ' PRO . 18.6 t 45.72 28.94 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.777 0.322 . . . . 0.0 111.489 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 58.8 m -102.39 109.23 20.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.121 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.434 ' O ' HG23 ' A' ' 112' ' ' ILE . 6.3 tt -111.72 46.91 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.026 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.4 t -62.95 -44.24 96.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 44.9 mmm -104.07 -40.72 6.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.4 mtm 60.47 109.8 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.8 ptm -120.63 108.78 14.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -106.98 117.91 35.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.992 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 11.4 mt -123.68 179.45 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.72 -167.17 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.717 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.66 -37.57 3.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.085 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.489 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 4.7 p -131.41 138.5 49.12 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.71 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.435 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.13 126.28 22.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.456 -179.674 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.47 -170.73 28.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 119.992 -1.099 . . . . 0.0 112.962 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -67.9 156.96 36.01 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 178.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -68.79 144.89 96.46 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 120.682 0.277 . . . . 0.0 110.281 -179.33 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.5 Cg_exo -59.94 158.48 29.25 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.395 2.064 . . . . 0.0 112.15 -179.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.808 HG22 ' HG3' ' A' ' 31' ' ' GLU . 17.4 m -72.85 116.99 15.77 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.639 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.2 OUTLIER -108.75 159.45 16.75 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.749 179.276 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.756 ' CE1' HD23 ' A' ' 90' ' ' LEU . 26.0 p90 -156.8 166.03 34.53 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.831 0.348 . . . . 0.0 111.38 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.93 127.84 49.97 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.58 179.691 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.752 HD11 HD22 ' A' ' 90' ' ' LEU . 7.9 mt -107.28 -27.12 10.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.028 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -120.7 143.92 48.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.876 0.37 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -66.25 -12.03 53.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.807 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -81.11 -0.44 40.08 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.28 26.02 8.51 Favored Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.466 -0.873 . . . . 0.0 113.239 179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -83.62 116.95 22.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 110.492 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.45 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.5 m-85 -112.16 132.15 55.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.375 -179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.518 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 82.5 m-85 -122.99 166.67 14.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.494 179.432 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.413 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -132.2 147.81 52.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.465 179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 15' ' ' VAL . 12.6 mt -78.26 122.07 32.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-O 121.013 0.435 . . . . 0.0 110.904 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.8 -26.22 39.49 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 115.903 -0.589 . . . . 0.0 113.026 -179.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.426 ' H ' HG22 ' A' ' 28' ' ' ILE . 21.1 p -62.56 -42.96 99.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.242 0.544 . . . . 0.0 109.843 179.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.808 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.3 mm-40 -71.32 -41.45 69.86 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.091 179.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.915 ' O ' HD12 ' A' ' 36' ' ' LEU . 36.0 t -61.76 -40.9 88.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.387 179.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.88 -50.74 58.98 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.349 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.671 HD22 HG22 ' A' ' 76' ' ' THR . 24.1 p30 -64.95 -32.95 74.92 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.131 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.494 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.4 t80 -61.62 -42.88 99.51 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.829 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.915 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mt -92.96 -3.91 53.65 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.969 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.78 30.86 4.67 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.842 0.353 . . . . 0.0 111.319 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 8.0 mtt -103.28 126.2 50.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.112 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -126.71 175.04 8.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.168 -179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 58.53 42.87 20.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.761 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 59.5 20.79 52.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 t -61.6 -33.96 74.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.78 0.324 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.654 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.2 tp -64.97 -51.98 58.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.798 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -64.8 -37.13 86.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.39 -39.63 77.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.646 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -82.82 -12.94 57.07 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.079 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 73.1 m-85 -134.89 63.42 58.08 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.032 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.886 ' HB2' HG22 ' A' ' 110' ' ' VAL . 35.2 Cg_exo -62.34 -31.69 81.53 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.729 2.286 . . . . 0.0 112.757 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -77.34 -5.26 48.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.757 0.313 . . . . 0.0 111.326 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.622 HD11 HD11 ' A' ' 99' ' ' ILE . 8.8 tp -74.47 134.09 42.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.221 -179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.599 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 67.9 t90 -70.01 115.06 8.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.664 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -139.56 138.14 36.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.721 0.295 . . . . 0.0 110.986 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.448 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -154.72 166.06 34.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.005 179.518 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.41 142.64 27.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.555 179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 1.066 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -92.29 141.75 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.413 -179.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.55 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.3 p -71.81 166.89 21.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.893 179.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.9 t -53.32 -39.07 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.052 0.453 . . . . 0.0 110.525 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -69.77 -42.42 73.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.124 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.403 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 15.8 mt-10 -63.62 -40.7 97.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.814 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.72 ' HA ' HD12 ' A' ' 63' ' ' ILE . 11.1 mtm-85 -63.83 -46.17 86.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.599 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -57.92 -43.36 86.21 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.555 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.636 ' HE2' HD23 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -68.86 -34.36 75.33 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-O 121.139 0.495 . . . . 0.0 110.024 178.497 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' A' ' 60' ' ' ARG . 13.7 mt -59.56 -44.08 92.35 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.149 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.184 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.588 HG22 HD23 ' A' ' 84' ' ' LEU . 40.9 t -67.91 -48.09 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.574 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.97 -37.08 69.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.708 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.6 t -79.04 -50.99 10.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.456 -179.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.408 ' CB ' ' HB3' ' A' ' 17' ' ' PHE . 0.3 OUTLIER -79.1 -56.06 4.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.914 0.388 . . . . 0.0 111.306 -179.635 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.512 ' NE2' HG11 ' A' ' 15' ' ' VAL . 27.4 m170 -93.23 177.84 5.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.37 -179.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 123.15 -49.99 0.87 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.09 -26.53 28.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.873 0.368 . . . . 0.0 110.95 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.562 ' NZ ' HG12 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -120.89 141.56 50.5 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.3 p -142.21 113.76 7.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 tttt -163.79 94.64 1.04 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.99 121.97 8.84 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.5 2.133 . . . . 0.0 112.253 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -166.0 36.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.671 HG22 HD22 ' A' ' 34' ' ' ASN . 21.6 p -107.33 -78.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.032 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 24.3 mmtt -138.4 -46.35 0.51 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.94 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -148.19 164.21 34.62 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -65.7 130.88 44.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 176.99 128.96 1.19 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.427 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.448 ' CD1' ' N ' ' A' ' 82' ' ' THR . 40.3 p90 -172.14 -40.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.866 0.365 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.448 ' N ' ' CD1' ' A' ' 81' ' ' TYR . 10.6 t -56.66 -34.52 67.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.792 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.415 ' O ' HG21 ' A' ' 64' ' ' VAL . 86.7 m -115.67 -75.78 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.753 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.588 HD23 HG22 ' A' ' 64' ' ' VAL . 6.7 tp 46.9 51.3 12.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.169 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HA ' ' HB3' ' A' ' 60' ' ' ARG . . . -129.38 37.17 4.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.226 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.7 t -112.06 -39.53 4.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.0 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 63.9 p -159.53 113.05 2.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.052 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.671 HG11 HD13 ' A' ' 63' ' ' ILE . 55.3 t -130.12 119.79 47.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.971 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.2 p -91.04 117.7 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.616 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.066 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.0 mp -96.95 149.5 21.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.178 0.513 . . . . 0.0 111.565 -179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -138.57 149.66 45.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.924 179.434 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.599 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 6.8 mmtt -71.98 121.96 20.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.078 0.466 . . . . 0.0 110.918 -179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.07 -32.9 23.55 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 53.9 p -63.8 -42.63 97.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.021 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.517 ' HB3' HD12 ' A' ' 50' ' ' LEU . 1.0 OUTLIER -67.89 -49.39 62.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.914 0.388 . . . . 0.0 110.519 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.788 ' HA ' HD12 ' A' ' 99' ' ' ILE . 22.9 t -61.43 -46.59 96.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.656 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.21 -44.89 75.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.957 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.57 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 8.4 mm-40 -61.15 -48.03 83.46 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 120.998 0.428 . . . . 0.0 110.95 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.788 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.2 mt -61.31 -39.14 81.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 179.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 16.1 mt -65.23 -35.75 82.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.955 178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.95 -13.41 59.89 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.158 178.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.24 3.73 53.88 Favored Glycine 0 N--CA 1.452 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.622 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.57 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 5.3 t30 -104.3 111.33 23.92 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.492 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 6.8 p-10 -166.62 16.71 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.282 -0.567 . . . . 0.0 112.52 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -56.05 -37.71 69.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.877 0.37 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -26.63 64.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.814 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.492 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 20.0 m-85 -81.58 -30.54 32.96 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.331 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -85.47 -8.39 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.158 -179.538 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -116.12 25.14 10.9 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.886 HG22 ' HB2' ' A' ' 48' ' ' PRO . 21.4 t 46.21 34.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 0.0 111.565 179.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.03 99.84 9.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.04 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 1.6 tt -116.11 39.52 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.058 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.236 -0.887 . . . . 0.0 110.905 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.0 t -98.8 128.36 44.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.341 . . . . 0.0 110.831 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 11.9 mtt -96.61 161.11 14.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 17.4 mtm -150.55 176.41 11.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.02 -32.65 15.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -93.94 146.99 23.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.163 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.1 mt -139.05 140.92 38.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.5 163.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -107.23 6.51 28.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.347 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.458 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 1.7 p -104.6 137.7 42.05 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.662 0.267 . . . . 0.0 110.696 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.439 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.25 126.35 22.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.295 -179.751 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.56 -170.34 28.18 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 119.801 -1.19 . . . . 0.0 112.854 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 -67.36 157.64 33.56 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -68.05 143.63 96.29 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 -179.109 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' N ' ' HG3' ' A' ' 13' ' ' LYS . 31.8 Cg_exo -59.4 157.26 31.89 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.227 1.952 . . . . 0.0 111.681 -179.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.876 HG22 ' HG3' ' A' ' 31' ' ' GLU . 11.4 m -72.58 115.68 13.55 Favored 'Isoleucine or valine' 0 C--O 1.241 0.634 0 CA-C-O 121.443 0.639 . . . . 0.0 111.85 -178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.4 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -108.74 163.18 13.49 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.829 -1.078 . . . . 0.0 109.462 179.052 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.664 ' CE1' HD23 ' A' ' 90' ' ' LEU . 11.4 p90 -160.2 159.22 31.32 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.532 ' OE1' ' HA2' ' A' ' 23' ' ' GLY . 2.9 tt0 -102.38 127.09 49.53 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.452 -0.499 . . . . 0.0 110.215 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.875 HD11 HD22 ' A' ' 90' ' ' LEU . 15.5 mt -91.8 -20.93 20.97 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.936 179.605 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -131.22 143.56 50.67 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.064 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.37 -11.23 59.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.362 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -81.14 3.96 21.71 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -177.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.532 ' HA2' ' OE1' ' A' ' 18' ' ' GLN . . . 103.29 26.04 7.13 Favored Glycine 0 CA--C 1.519 0.306 0 C-N-CA 119.803 -1.189 . . . . 0.0 114.701 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 18' ' ' GLN . 4.3 mm-40 -96.64 115.48 27.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 117.791 0.796 . . . . 0.0 110.059 178.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.473 ' CE1' ' OE1' ' A' ' 18' ' ' GLN . 9.5 m-85 -117.48 136.71 53.03 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 121.337 0.589 . . . . 0.0 112.369 -178.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.508 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 81.0 m-85 -125.39 166.43 16.6 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.09 -0.959 . . . . 0.0 109.845 178.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.431 ' HE2' HG11 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -130.96 148.17 52.68 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.433 179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.685 HG13 HG23 ' A' ' 15' ' ' VAL . 5.3 mt -78.07 123.08 34.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 C-N-CA 120.521 -0.472 . . . . 0.0 110.741 179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.72 -28.37 46.23 Favored Glycine 0 C--N 1.333 0.368 0 C-N-CA 121.013 -0.613 . . . . 0.0 113.123 -178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.0 t -61.4 -42.23 98.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.13 0.49 . . . . 0.0 109.855 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.876 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -71.76 -40.77 69.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.169 179.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.888 ' O ' HD12 ' A' ' 36' ' ' LEU . 38.9 t -61.85 -40.57 87.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.205 179.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.37 -50.7 58.11 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.356 179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.9 p30 -65.31 -33.08 75.14 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.503 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -62.92 -42.78 99.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.056 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.888 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -93.75 -3.37 52.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 68.73 30.71 4.79 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 120.804 0.335 . . . . 0.0 111.57 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -103.87 126.21 50.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.005 178.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -126.59 175.08 8.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.111 -179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? 60.17 43.09 14.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.806 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 58.42 20.32 44.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.443 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.8 t -59.4 -33.77 71.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.011 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.409 ' CD1' HD13 ' A' ' 36' ' ' LEU . 4.1 tp -64.8 -52.11 58.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.092 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.627 ' HE2' HD11 ' A' ' 91' ' ' LEU . 26.7 m-85 -70.43 -34.71 72.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.132 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.5 tttm -73.06 -30.91 64.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -92.16 -14.25 29.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.288 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.494 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 91.6 m-85 -132.53 65.4 74.55 Favored Pre-proline 0 CA--C 1.531 0.214 0 CA-C-O 120.81 0.338 . . . . 0.0 111.043 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.668 ' HG2' HG22 ' A' ' 110' ' ' VAL . 37.9 Cg_exo -60.22 -32.13 93.97 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.771 2.314 . . . . 0.0 112.916 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.18 -14.43 60.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.526 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.903 HD11 HD11 ' A' ' 99' ' ' ILE . 3.6 tp -67.02 134.31 51.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 111.24 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.577 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.1 t90 -69.9 120.72 16.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.48 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -139.22 138.73 37.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 12.2 mtm180 -150.42 165.9 31.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.086 0.47 . . . . 0.0 111.619 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.72 151.6 19.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.422 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 1.072 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -100.11 127.64 46.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.043 0.449 . . . . 0.0 111.816 -179.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.456 HG23 ' OE1' ' A' ' 59' ' ' GLU . 16.8 p -71.89 171.57 11.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.005 179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.577 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 38.8 t -56.06 -39.07 56.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.222 0.534 . . . . 0.0 110.382 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -69.83 -42.46 73.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.146 179.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' OE1' HG23 ' A' ' 56' ' ' THR . 7.1 mt-10 -65.22 -40.82 94.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.18 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.75 ' HA ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -66.75 -39.69 88.01 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.758 -0.201 . . . . 0.0 110.841 -179.61 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.47 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -63.81 -41.54 97.87 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 178.834 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.47 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 9.8 mtpt -68.63 -34.67 76.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.078 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.75 HD12 ' HA ' ' A' ' 60' ' ' ARG . 13.3 mt -59.75 -51.21 75.47 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.109 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.2 t -61.31 -45.94 97.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.547 -179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.39 -43.85 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.125 0.417 . . . . 0.0 112.125 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 70.8 m -79.08 -51.27 9.79 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.358 0.503 . . . . 0.0 112.358 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.428 ' O ' ' HB3' ' A' ' 68' ' ' HIS . 5.9 t -65.0 -56.53 12.61 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 111.632 0.234 . . . . 0.0 111.632 -178.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.673 ' NE2' HG11 ' A' ' 15' ' ' VAL . 0.0 OUTLIER 173.42 149.91 0.07 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.85 0.357 . . . . 0.0 110.988 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.98 107.36 0.32 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.491 179.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? 61.33 109.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.824 0.345 . . . . 0.0 110.971 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -127.92 -44.18 1.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.006 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 28.6 p -148.14 124.87 11.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.2 ttmt -170.9 132.83 0.91 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -53.75 -30.31 56.09 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.476 2.117 . . . . 0.0 112.298 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -79.49 145.96 32.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.5 p -78.81 -178.45 6.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.0 mmmt -72.4 153.44 41.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.852 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -151.86 -59.54 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 67.0 m-70 -129.53 -47.03 1.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 146.07 -86.37 0.17 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -135.04 156.0 49.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.6 m -125.9 -43.23 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.989 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -87.83 164.3 15.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.881 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.502 HD11 HD13 ' A' ' 28' ' ' ILE . 0.6 OUTLIER 60.03 90.08 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.519 ' HB1' ' CD ' ' A' ' 60' ' ' ARG . . . -178.14 -35.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.409 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.64 -33.92 69.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.907 0.384 . . . . 0.0 110.55 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 20.3 p -159.12 106.39 1.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.846 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.606 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 39.9 t -112.16 125.85 69.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.736 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 17.5 p -90.79 115.46 27.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.782 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.072 HD11 ' HB2' ' A' ' 55' ' ' ALA . 3.7 mp -96.95 144.87 26.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.036 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.627 HD11 ' HE2' ' A' ' 44' ' ' TYR . 3.6 mp -134.77 149.31 50.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.327 179.617 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.577 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 9.8 mmtt -69.07 121.93 17.7 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.033 0.444 . . . . 0.0 110.933 -179.682 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.33 -32.9 40.24 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.699 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.418 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 0.2 OUTLIER -64.83 -41.4 95.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.984 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.473 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 3.4 mm-40 -66.23 -49.26 67.83 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.071 0.462 . . . . 0.0 110.219 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.592 ' HA ' HD12 ' A' ' 99' ' ' ILE . 22.2 t -62.49 -40.03 86.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.562 179.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.36 -45.34 88.41 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.818 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.493 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 3.3 mm-40 -62.4 -48.5 79.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.048 0.452 . . . . 0.0 110.628 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.903 HD11 HD11 ' A' ' 50' ' ' LEU . 4.4 mt -61.63 -39.19 82.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.2 mt -66.21 -35.79 81.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.924 178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.76 -13.24 59.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.197 179.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.14 3.77 54.16 Favored Glycine 0 N--CA 1.451 -0.338 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.63 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.493 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 6.6 t30 -104.21 110.96 23.37 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 177.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.496 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 17.4 p-10 -163.98 14.12 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.241 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -53.89 -42.71 68.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.898 0.38 . . . . 0.0 110.983 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.5 ptmt -63.15 -30.43 71.58 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.615 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.473 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.5 m-85 -79.79 -45.38 18.9 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.348 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.496 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -67.42 -13.32 61.92 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.183 -179.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.441 ' O ' ' HB ' ' A' ' 110' ' ' VAL . . . -93.79 24.49 4.13 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.668 HG22 ' HG2' ' A' ' 48' ' ' PRO . 99.6 t 69.8 -55.98 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 120.907 0.384 . . . . 0.0 111.422 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.71 170.23 16.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.854 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 22.3 mt -70.68 -31.42 45.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.211 -0.899 . . . . 0.0 110.855 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.202 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 66.1 p -125.32 123.88 40.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 1.5 ptt? -132.94 139.72 47.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 7.9 mmt -143.8 -178.62 6.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.2 tpp 62.69 118.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -172.42 127.61 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 14.6 mt -143.33 174.89 10.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -69.24 -166.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -92.79 106.99 18.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.915 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.63 HG21 HD22 ' A' ' 100' ' ' LEU . 6.2 p -133.38 165.15 25.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.439 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.438 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.22 126.28 22.76 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.926 -0.31 . . . . 0.0 111.778 -179.363 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.11 -171.08 29.47 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 119.963 -1.113 . . . . 0.0 113.28 177.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -70.11 156.94 38.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -68.5 143.38 95.28 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -179.535 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.2 Cg_exo -59.71 156.91 35.01 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.281 1.988 . . . . 0.0 111.947 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.815 HG22 ' HG3' ' A' ' 31' ' ' GLU . 20.6 m -72.77 119.37 19.44 Favored 'Isoleucine or valine' 0 C--O 1.238 0.489 0 CA-C-O 121.236 0.541 . . . . 0.0 111.969 -178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.2 OUTLIER -113.03 154.24 26.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.735 179.087 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.413 ' CE2' HD21 ' A' ' 19' ' ' LEU . 19.0 p90 -153.96 169.33 23.72 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.821 0.343 . . . . 0.0 111.255 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.445 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.62 127.92 49.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.811 -179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.927 HD11 ' CD2' ' A' ' 90' ' ' LEU . 50.2 mt -104.88 -30.71 9.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -119.02 143.96 46.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.081 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.63 -11.93 55.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.779 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.2 -1.23 43.9 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 102.86 26.06 7.28 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.394 -0.908 . . . . 0.0 113.27 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -83.96 116.8 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 0.0 110.627 179.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.449 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.5 m-85 -112.09 133.77 54.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.989 0.423 . . . . 0.0 111.125 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.622 ' CD2' HD12 ' A' ' 19' ' ' LEU . 76.0 m-85 -123.62 166.77 14.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.589 179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.444 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -133.95 144.32 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.52 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.718 HD12 HG21 ' A' ' 15' ' ' VAL . 15.4 mt -75.25 119.96 23.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 121.025 0.441 . . . . 0.0 110.989 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.94 -28.43 48.17 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 121.007 -0.616 . . . . 0.0 112.917 -179.126 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.453 ' H ' HG22 ' A' ' 28' ' ' ILE . 0.9 OUTLIER -62.96 -41.22 99.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.088 0.471 . . . . 0.0 110.009 179.23 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.815 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -70.99 -41.05 71.46 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.047 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.907 ' O ' HD12 ' A' ' 36' ' ' LEU . 20.8 t -63.75 -40.88 90.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.407 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.81 -50.87 60.08 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.261 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.8 p30 -64.61 -33.05 75.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.025 0.44 . . . . 0.0 109.982 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.5 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -60.59 -42.9 97.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.753 179.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.907 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -95.19 -2.55 49.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.072 179.334 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.75 29.71 5.13 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.312 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.8 mmm -101.57 126.3 48.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.044 179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -126.46 174.96 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.13 -179.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.8 mtt180 59.14 33.82 22.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.788 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.91 20.43 74.5 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.506 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.18 -33.8 69.64 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.85 0.357 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.611 ' CD1' HD13 ' A' ' 36' ' ' LEU . 2.8 tp -64.92 -52.07 58.41 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' HE2' HD11 ' A' ' 91' ' ' LEU . 26.6 m-85 -68.77 -39.09 80.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.957 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.3 mptt -67.23 -31.08 71.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.77 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -91.96 -16.42 26.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.272 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.45 ' CE2' ' HG2' ' A' ' 108' ' ' LYS . 74.7 m-85 -131.63 67.94 80.39 Favored Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.995 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.418 ' HB2' ' HB ' ' A' ' 110' ' ' VAL . 25.5 Cg_exo -62.19 -32.3 82.72 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.529 2.153 . . . . 0.0 112.806 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.444 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . 0.5 OUTLIER -72.35 -9.47 58.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.477 -179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.795 HD11 HD11 ' A' ' 99' ' ' ILE . 2.9 tp -75.67 136.45 40.4 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.828 0.347 . . . . 0.0 111.078 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.526 ' HB3' ' HG2' ' A' ' 92' ' ' LYS . 77.7 t90 -74.57 122.88 23.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.795 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.9 ptt-85 -139.2 138.74 37.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.917 0.389 . . . . 0.0 111.111 179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.466 ' HB2' ' CH2' ' A' ' 51' ' ' TRP . 6.5 mtm-85 -150.55 166.08 31.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.155 0.502 . . . . 0.0 111.596 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.64 143.13 26.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.461 179.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 88' ' ' VAL . . . -76.48 126.71 31.47 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.817 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.5 p -75.54 171.3 14.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.028 179.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 20.4 t -55.59 -39.75 55.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 121.153 0.502 . . . . 0.0 110.643 179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -69.55 -50.61 43.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.375 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.513 ' OE2' HD13 ' A' ' 19' ' ' LEU . 62.7 mt-10 -56.71 -39.95 74.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.925 179.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.758 ' NH1' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -60.58 -48.7 80.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.105 179.74 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.22 -39.56 75.73 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.8 mttp -68.31 -34.87 76.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.526 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.864 HD13 HG11 ' A' ' 88' ' ' VAL . 20.5 mt -71.04 -26.23 27.07 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.309 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.595 HG23 ' O ' ' A' ' 60' ' ' ARG . 60.6 t -62.63 -50.64 78.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.265 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.25 -42.86 62.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.313 0.577 . . . . 0.0 110.255 178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.519 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 0.8 OUTLIER -75.01 -12.92 60.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.188 -0.915 . . . . 0.0 111.658 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.549 ' N ' ' O ' ' A' ' 63' ' ' ILE . 0.5 OUTLIER -53.9 -11.87 0.48 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -178.51 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' A' ' 67' ' ' SER . 75.4 m80 72.3 176.87 0.26 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.828 0.347 . . . . 0.0 110.999 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 108.55 -26.12 17.32 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.401 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.97 -32.88 51.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.951 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -59.62 145.87 43.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.068 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 2.4 m -75.95 129.72 37.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.71 120.17 21.68 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.84 -27.66 35.58 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.422 2.081 . . . . 0.0 112.263 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.62 152.94 21.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 63.8 p -98.12 149.57 22.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.93 -37.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.979 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -128.03 130.2 47.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.8 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -86.63 -47.69 8.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 161.95 130.87 1.16 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 51.2 p90 -71.87 144.43 49.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 31.1 m -108.97 -40.57 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.514 ' C ' HD13 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -164.17 143.22 7.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.742 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.715 HD13 ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -166.16 32.51 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.144 179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.557 ' HB2' HH21 ' A' ' 60' ' ' ARG . . . -98.92 45.3 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.842 0.353 . . . . 0.0 111.619 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -112.04 -39.58 4.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.298 179.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.85 106.32 1.63 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.924 179.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.864 HG11 HD13 ' A' ' 63' ' ' ILE . 90.6 t -117.06 119.72 62.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.465 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 77.3 p -92.39 133.97 35.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.065 -179.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.927 ' CD2' HD11 ' A' ' 19' ' ' LEU . 1.1 mp -115.69 144.92 43.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.562 HD21 HD23 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -135.32 158.97 43.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.04 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.526 ' HG2' ' HB3' ' A' ' 51' ' ' TRP . 4.2 mmmm -76.56 122.42 24.58 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.736 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -51.32 -36.19 41.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.0 m -64.96 -38.48 91.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.453 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -68.06 -49.34 61.94 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.682 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.54 ' HA ' HD12 ' A' ' 99' ' ' ILE . 16.9 t -63.21 -47.95 89.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.636 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.9 -43.68 73.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.713 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -61.08 -48.52 81.32 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 121.098 0.475 . . . . 0.0 111.078 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.795 HD11 HD11 ' A' ' 50' ' ' LEU . 5.8 mt -61.6 -39.4 82.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.065 0.46 . . . . 0.0 109.765 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.63 HD22 HG21 ' A' ' 9' ' ' THR . 29.7 mt -67.72 -33.27 74.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.092 178.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -77.87 -14.0 59.7 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.045 178.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.49 3.58 53.18 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.621 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.474 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -104.51 110.9 23.36 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 177.709 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.486 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 8.4 p-10 -167.69 16.97 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.248 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -58.67 -38.5 78.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.913 0.387 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -71.01 -21.43 62.28 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.977 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 104' ' ' ASP . 24.4 m-85 -84.77 -44.52 13.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 120.852 0.358 . . . . 0.0 111.56 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -64.84 -21.59 66.82 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.62 -178.753 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.457 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -116.01 27.72 9.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.581 ' O ' HG22 ' A' ' 110' ' ' VAL . 11.4 p 42.91 30.79 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.808 0.337 . . . . 0.0 111.508 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.1 m -66.9 135.53 53.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.138 -179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.6 tt -177.19 41.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.092 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.251 -0.88 . . . . 0.0 110.85 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.3 t 60.26 173.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.828 0.347 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -110.41 106.2 15.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.81 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 60.91 112.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -163.43 152.82 14.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.01 176.94 0.64 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -149.31 -47.11 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.0 m -128.02 123.54 34.95 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmtp -147.57 -42.04 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.117 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.445 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 1.6 p -108.63 155.88 20.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.777 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.22 126.29 22.76 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.622 -179.636 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.47 -170.76 28.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 119.804 -1.189 . . . . 0.0 113.171 178.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -67.68 157.21 35.11 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 178.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 4.7 tptt -68.44 144.16 96.17 Favored Pre-proline 0 C--N 1.327 -0.381 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 -179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.9 Cg_exo -59.8 155.32 44.11 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 122.412 2.075 . . . . 0.0 111.924 -179.114 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.802 HG22 ' HG3' ' A' ' 31' ' ' GLU . 13.3 m -72.84 117.35 16.32 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 CA-C-O 121.319 0.581 . . . . 0.0 111.622 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -112.5 149.92 31.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.098 179.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.721 ' CE2' HD23 ' A' ' 90' ' ' LEU . 15.8 p90 -149.31 168.56 23.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.959 0.409 . . . . 0.0 111.223 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.462 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -102.92 127.96 49.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.368 179.584 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.579 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.2 mt -108.17 -20.52 13.13 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.538 -179.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 4.4 mm-40 -128.01 143.86 51.09 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.025 0.44 . . . . 0.0 111.251 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -65.06 -11.99 45.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.92 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.98 -1.15 42.61 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -179.053 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.87 24.65 10.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.452 -0.88 . . . . 0.0 113.361 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.421 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 0.6 OUTLIER -83.75 116.73 22.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.9 0.381 . . . . 0.0 110.502 179.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.462 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.4 m-85 -110.47 130.84 55.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.287 -179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.414 ' CD1' ' CZ3' ' A' ' 51' ' ' TRP . 79.7 m-85 -121.75 166.63 14.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.512 179.348 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.481 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -130.86 149.77 52.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.502 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.739 HD12 HG21 ' A' ' 15' ' ' VAL . 17.7 mt -77.19 122.09 31.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.924 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.74 -36.88 60.27 Favored Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.911 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.506 ' OG ' HG22 ' A' ' 28' ' ' ILE . 4.4 p -57.19 -38.77 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.12 0.486 . . . . 0.0 110.08 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.802 ' HG3' HG22 ' A' ' 15' ' ' VAL . 3.3 mm-40 -70.67 -41.72 71.71 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.094 179.292 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.902 ' O ' HD12 ' A' ' 36' ' ' LEU . 31.5 t -62.6 -40.6 88.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.616 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.33 -50.61 58.73 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.568 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 25.8 p30 -65.46 -32.99 74.9 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.629 -0.428 . . . . 0.0 110.249 179.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.0 t80 -63.12 -42.81 99.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.945 179.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.902 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -93.38 -3.13 53.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.124 179.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.63 29.96 5.22 Favored 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.622 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 9.4 mtt -101.16 126.07 47.84 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -126.81 175.1 8.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.7 mtt180 56.73 42.78 26.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.82 19.48 55.68 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.497 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 t -60.25 -33.88 72.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.798 0.332 . . . . 0.0 110.915 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 36' ' ' LEU . 2.0 tp -64.95 -52.08 58.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.733 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -67.16 -39.0 86.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.943 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.77 -40.31 91.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.693 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -83.62 -15.91 47.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.128 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 108' ' ' LYS . 89.0 m-85 -134.31 65.56 68.64 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.809 ' HG2' HG22 ' A' ' 110' ' ' VAL . 30.6 Cg_exo -62.36 -32.32 81.31 Favored 'Trans proline' 0 C--N 1.346 0.439 0 C-N-CA 122.647 2.231 . . . . 0.0 112.72 -179.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' A' ' 107' ' ' TYR . 3.1 t -72.51 -10.07 59.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.686 0.279 . . . . 0.0 111.22 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.68 HD11 HD11 ' A' ' 99' ' ' ILE . 6.3 tp -69.55 128.52 36.79 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.358 . . . . 0.0 111.152 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.579 ' CD2' ' HD2' ' A' ' 92' ' ' LYS . 73.3 t90 -69.91 118.91 13.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.646 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.36 143.54 37.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.764 0.316 . . . . 0.0 111.188 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.473 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.4 OUTLIER -154.1 166.17 33.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.088 179.661 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.18 153.07 18.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.405 179.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.839 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -106.83 140.73 39.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.039 0.447 . . . . 0.0 111.776 -179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.3 p -77.66 171.53 14.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.148 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 36.0 t -60.25 -37.07 72.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.988 0.423 . . . . 0.0 110.686 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -70.39 -51.17 31.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.565 179.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -61.01 -46.71 89.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.867 ' HA ' HD12 ' A' ' 63' ' ' ILE . 9.9 ptp180 -60.77 -41.61 95.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.581 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -57.93 -43.37 86.24 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 178.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.4 mttt -68.12 -34.58 76.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.17 178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.867 HD12 ' HA ' ' A' ' 60' ' ' ARG . 56.9 mt -59.74 -44.64 94.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.826 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.57 HG22 HD23 ' A' ' 84' ' ' LEU . 33.5 t -63.89 -49.67 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.569 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.36 -39.06 68.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.335 -0.393 . . . . 0.0 112.045 -179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 54.3 p -79.09 -51.15 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.859 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.6 t -75.52 -55.94 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.722 0.296 . . . . 0.0 111.37 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.565 ' NE2' HG11 ' A' ' 15' ' ' VAL . 28.5 m170 -91.51 159.19 16.05 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.953 0.406 . . . . 0.0 111.261 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 70' ' ' LYS . . . 107.73 150.64 16.09 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.505 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 69' ' ' GLY . 16.3 mmtm 63.92 11.7 6.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.627 0.251 . . . . 0.0 111.629 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -83.58 152.34 24.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.797 0.332 . . . . 0.0 110.953 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 33.0 p -104.17 107.27 18.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -168.64 96.9 0.55 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_exo -50.98 -24.38 13.9 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.538 2.159 . . . . 0.0 112.494 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -68.03 -63.08 1.13 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.2 p -74.83 -33.97 62.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.054 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm 62.58 176.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -150.51 110.0 4.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -149.52 -48.51 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -160.72 118.67 0.84 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -97.59 141.07 31.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 m -146.75 31.47 0.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.476 HG22 ' H ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -147.84 -175.8 5.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.57 HD23 HG22 ' A' ' 64' ' ' VAL . 0.7 OUTLIER 60.71 28.6 18.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.015 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -127.01 30.58 5.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.263 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.7 m -112.01 -39.23 4.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.441 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -159.3 107.49 1.81 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.593 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.729 HG11 HD13 ' A' ' 63' ' ' ILE . 23.2 t -112.14 119.7 60.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.18 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 66.2 p -90.91 119.17 30.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.313 179.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.839 HD11 ' HB2' ' A' ' 55' ' ' ALA . 1.9 mp -96.75 144.88 26.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.978 0.418 . . . . 0.0 111.385 -179.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -137.21 151.53 48.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.498 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.579 ' HD2' ' CD2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -69.77 121.6 17.56 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.347 0.594 . . . . 0.0 111.323 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.66 -42.38 56.52 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.694 -179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -56.85 -40.25 75.75 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.048 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.452 ' HG2' ' CE1' ' A' ' 107' ' ' TYR . 15.0 mt-10 -68.22 -49.32 61.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.984 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.575 ' HA ' HD12 ' A' ' 99' ' ' ILE . 10.9 t -60.95 -50.21 81.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.84 -42.14 71.58 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.63 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.469 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.1 OUTLIER -60.91 -48.8 80.17 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.064 0.459 . . . . 0.0 111.038 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.68 HD11 HD11 ' A' ' 50' ' ' LEU . 4.1 mt -62.4 -39.23 83.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.082 0.468 . . . . 0.0 109.8 179.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 20.1 mt -66.75 -34.63 78.26 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.122 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -77.74 -14.35 59.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.062 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.56 3.61 52.95 Favored Glycine 0 N--CA 1.45 -0.41 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.533 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.469 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.7 OUTLIER -104.22 110.78 23.12 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 177.788 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.498 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 12.2 p-10 -164.36 13.82 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.05 -39.11 65.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.401 . . . . 0.0 110.939 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.87 -30.06 70.61 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.644 179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.452 ' CE1' ' HG2' ' A' ' 95' ' ' GLU . 24.3 m-85 -80.28 -43.84 20.62 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.322 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -68.44 -11.16 59.31 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.342 -179.329 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -94.44 16.41 15.31 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -179.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.809 HG22 ' HG2' ' A' ' 48' ' ' PRO . 39.9 t 60.54 13.96 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.662 -0.245 . . . . 0.0 111.42 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 110' ' ' VAL . 0.5 OUTLIER 164.96 163.04 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.605 -0.271 . . . . 0.0 110.533 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.1 mt -80.18 -29.58 12.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.134 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.932 179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.186 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.7 t -114.05 156.42 24.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.78 0.324 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.3 ttt -82.17 134.17 35.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.95 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.19 146.27 50.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -136.51 164.42 28.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.81 92.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.062 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.6 mt -132.05 -176.28 4.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.0 p -159.01 -78.43 0.06 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.953 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mtmt -124.75 -39.06 2.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.124 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.478 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.2 p -100.32 135.67 41.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.943 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.2 OUTLIER -138.61 126.54 22.46 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.246 -179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.51 -170.38 28.29 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 119.763 -1.208 . . . . 0.0 113.01 178.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -67.54 157.2 34.91 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.638 -0.505 . . . . 0.0 109.638 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 4.4 tppp? -68.61 143.28 94.98 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-O 120.726 0.298 . . . . 0.0 110.415 -179.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.437 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 31.1 Cg_exo -60.36 162.3 17.8 Favored 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.429 2.086 . . . . 0.0 111.906 -179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.795 HG13 ' CD ' ' A' ' 31' ' ' GLU . 16.2 m -72.9 117.23 16.21 Favored 'Isoleucine or valine' 0 C--O 1.239 0.544 0 CA-C-O 121.331 0.586 . . . . 0.0 112.055 -178.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.482 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.25 153.24 28.71 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.457 179.129 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.578 ' HE1' HD21 ' A' ' 90' ' ' LEU . 22.2 p90 -155.14 169.09 24.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 0.0 111.736 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.448 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.5 OUTLIER -104.6 127.98 52.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.41 179.566 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.6 mt -108.79 -25.1 10.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.434 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -119.19 143.81 47.05 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.955 0.407 . . . . 0.0 111.181 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.89 -12.11 58.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.659 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -81.22 -3.28 51.85 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.0 24.11 8.22 Favored Glycine 0 C--N 1.331 0.272 0 C-N-CA 120.397 -0.906 . . . . 0.0 113.135 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -80.94 116.78 21.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.828 0.347 . . . . 0.0 110.638 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.4 m-85 -111.36 128.86 56.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.176 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.619 ' CB ' HD23 ' A' ' 90' ' ' LEU . 89.7 m-85 -121.39 166.84 13.51 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.583 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.482 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 4.9 mtm -135.84 149.27 48.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.544 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.745 HD12 HG21 ' A' ' 15' ' ' VAL . 12.0 mt -79.25 118.15 26.18 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 CA-C-O 121.119 0.485 . . . . 0.0 111.049 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.87 -24.75 34.97 Favored Glycine 0 C--N 1.333 0.396 0 CA-C-N 115.748 -0.66 . . . . 0.0 113.044 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.427 ' H ' HG22 ' A' ' 28' ' ' ILE . 6.0 t -64.15 -43.32 95.58 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.172 0.51 . . . . 0.0 109.701 179.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.795 ' CD ' HG13 ' A' ' 15' ' ' VAL . 1.9 mm-40 -70.49 -39.62 74.08 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.948 179.191 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.914 ' O ' HD12 ' A' ' 36' ' ' LEU . 39.6 t -63.87 -40.68 89.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.261 179.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.96 -50.7 61.35 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.234 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.2 p30 -64.48 -33.0 74.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.072 0.463 . . . . 0.0 110.032 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.493 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 5.2 t80 -60.89 -42.78 98.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.85 179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.914 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.66 -2.75 50.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.988 179.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 68.58 30.11 5.25 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.742 0.306 . . . . 0.0 111.407 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -101.0 126.32 47.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.068 179.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -126.53 175.02 8.22 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.123 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 55.0 mtm-85 59.41 37.49 23.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.747 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.56 20.59 63.87 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.0 m -57.96 -33.97 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.411 ' CD1' HD13 ' A' ' 36' ' ' LEU . 4.2 tp -64.91 -51.08 63.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.513 ' HE2' HD11 ' A' ' 91' ' ' LEU . 23.0 m-85 -69.31 -39.0 78.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.032 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.59 -28.92 65.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -90.34 -24.67 20.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.099 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.596 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 77.8 m-85 -119.43 71.7 13.39 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.111 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.45 -28.66 78.2 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.866 2.377 . . . . 0.0 112.97 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.425 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . 0.4 OUTLIER -85.42 6.42 26.76 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.677 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.596 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 6.2 tp -87.28 130.86 34.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.889 0.376 . . . . 0.0 111.277 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.65 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 68.4 t90 -69.9 119.55 14.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.526 179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.425 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 0.2 OUTLIER -139.5 138.79 36.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.111 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.65 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -152.28 160.66 43.31 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 120.814 0.34 . . . . 0.0 111.487 179.334 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.435 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -94.02 131.77 39.16 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.81 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -80.91 146.74 30.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.096 -0.502 . . . . 0.0 112.011 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.619 HG23 ' OE1' ' A' ' 59' ' ' GLU . 6.8 p -83.01 171.5 13.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.522 179.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.584 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 24.9 t -54.02 -48.48 64.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.19 0.519 . . . . 0.0 110.249 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -61.83 -40.42 95.25 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.619 ' OE1' HG23 ' A' ' 56' ' ' THR . 34.3 mt-10 -60.92 -46.08 92.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.078 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.584 ' HG3' ' O ' ' A' ' 57' ' ' VAL . 0.0 OUTLIER -60.99 -38.5 86.25 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 121.092 -0.243 . . . . 0.0 110.541 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.535 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 26.8 mttt -58.82 -49.5 77.49 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 178.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 66' ' ' SER . 3.4 mtpm? -68.15 -34.79 76.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.5 179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.786 HD13 HG11 ' A' ' 88' ' ' VAL . 29.5 mt -61.16 -49.81 83.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.321 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.575 HG13 ' HB3' ' A' ' 81' ' ' TYR . 48.8 t -70.86 -49.88 47.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -179.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.7 -45.23 59.86 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -178.528 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 62' ' ' LYS . 1.9 t -79.0 -51.23 9.88 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 -177.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.452 ' CB ' ' HB3' ' A' ' 17' ' ' PHE . 7.6 t -54.88 -56.66 17.12 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -178.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.591 ' CE1' ' HB ' ' A' ' 15' ' ' VAL . 38.2 m80 -144.42 -175.05 4.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.888 0.375 . . . . 0.0 111.297 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 141.87 -31.93 2.06 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.392 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -103.05 115.31 30.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -118.1 7.12 12.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.346 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.482 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER 63.09 177.99 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.76 0.314 . . . . 0.0 110.902 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.482 ' H ' HG22 ' A' ' 72' ' ' THR . 1.5 mmmt 61.97 151.6 0.1 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.27 -179.82 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.561 2.174 . . . . 0.0 112.33 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -152.27 161.83 42.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -115.6 -37.32 4.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.046 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 mmtt -90.34 147.77 23.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -100.3 30.39 3.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -106.06 134.96 48.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.849 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.45 -64.66 1.5 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.522 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.575 ' HB3' HG13 ' A' ' 64' ' ' VAL . 0.3 OUTLIER -176.28 134.45 0.25 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.811 0.338 . . . . 0.0 110.869 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.441 HG22 ' O ' ' A' ' 82' ' ' THR . 11.4 m -151.4 32.75 0.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.643 ' HB ' HD13 ' A' ' 84' ' ' LEU . 91.1 m -71.89 -21.84 61.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.659 HD13 ' N ' ' A' ' 84' ' ' LEU . 0.0 OUTLIER -136.63 -111.95 0.19 Allowed 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.766 179.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.544 ' H ' HD23 ' A' ' 84' ' ' LEU . . . 76.08 -54.07 0.61 Allowed 'General case' 0 N--CA 1.463 0.2 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -27.72 63.51 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.914 0.388 . . . . 0.0 110.605 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.02 105.23 1.75 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.479 179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.786 HG11 HD13 ' A' ' 63' ' ' ILE . 18.5 t -111.64 119.76 60.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.193 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.9 p -92.4 116.2 28.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.2 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.81 ' CD1' ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -96.77 144.75 26.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.29 -179.379 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.748 HD12 ' O ' ' A' ' 90' ' ' LEU . 10.3 mp -135.75 157.0 47.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.399 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.519 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 8.8 mmtt -76.6 121.7 23.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.935 0.398 . . . . 0.0 110.672 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -50.34 -44.19 54.36 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.504 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.413 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 55.0 p -59.02 -37.88 77.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.454 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -68.05 -49.25 62.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.886 0.374 . . . . 0.0 110.526 -179.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.678 ' HA ' HD12 ' A' ' 99' ' ' ILE . 22.0 t -63.11 -39.26 84.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.489 179.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -59.14 -46.04 89.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.675 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 13.9 mm-40 -61.72 -48.01 82.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.082 0.467 . . . . 0.0 110.719 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 96' ' ' VAL . 4.6 mt -61.23 -39.24 81.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.8 mt -65.24 -35.94 82.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.856 178.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -77.88 -13.06 60.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.281 179.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.32 3.78 53.61 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.794 -0.639 . . . . 0.0 112.7 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.463 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 9.0 t30 -104.33 111.12 23.63 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 177.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.449 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.1 p-10 -167.7 17.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -57.46 -34.04 68.58 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.859 0.362 . . . . 0.0 111.036 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.97 -25.3 59.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.454 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 26.4 m-85 -82.06 -31.92 30.62 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.514 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.47 ' HG2' ' CE1' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -80.81 -19.8 43.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.436 -178.892 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.401 ' C ' HG12 ' A' ' 110' ' ' VAL . . . -116.12 30.17 7.51 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -179.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.577 ' O ' HG22 ' A' ' 110' ' ' VAL . 7.0 p 42.42 61.62 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.99 0.424 . . . . 0.0 111.495 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 4.9 t 71.55 153.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 21.1 mt -88.56 -34.61 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.221 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.431 -0.268 . . . . 0.0 112.431 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 78.3 p -148.99 157.62 43.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.94 31.0 3.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.75 174.5 5.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.08 -44.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.922 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -75.62 144.36 41.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.161 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.33 -44.95 0.76 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.9 p -69.71 167.17 17.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.813 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.7 mttm -110.9 -26.28 9.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.484 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 1.9 p -109.98 135.77 50.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.858 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.52 126.56 22.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.231 -179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.66 -170.24 27.95 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.636 -1.269 . . . . 0.0 112.898 178.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -67.33 157.02 35.0 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.711 -0.477 . . . . 0.0 109.711 178.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.3 tppp? -68.67 145.14 96.81 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 110.271 -179.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 31.8 Cg_exo -59.74 158.03 30.24 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.386 2.057 . . . . 0.0 112.097 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.787 HG22 ' HG3' ' A' ' 31' ' ' GLU . 15.2 m -72.95 116.98 15.88 Favored 'Isoleucine or valine' 0 C--O 1.24 0.604 0 CA-C-O 121.279 0.562 . . . . 0.0 111.635 -179.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.483 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.0 OUTLIER -111.33 149.68 30.79 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.855 179.507 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.712 ' CE1' HD23 ' A' ' 90' ' ' LEU . 22.8 p90 -148.05 167.62 24.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.913 0.387 . . . . 0.0 111.434 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.422 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.89 127.93 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.587 179.646 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.517 HD11 ' CD2' ' A' ' 90' ' ' LEU . 4.7 mt -108.74 -27.11 9.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.266 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -118.76 143.82 46.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.978 0.418 . . . . 0.0 111.071 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -66.73 -12.24 57.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.691 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -81.29 -1.93 47.03 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -179.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.89 25.21 8.13 Favored Glycine 0 C--N 1.332 0.329 0 C-N-CA 120.447 -0.882 . . . . 0.0 113.078 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -80.47 116.79 20.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.751 0.31 . . . . 0.0 110.619 179.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 7.5 m-85 -111.54 133.91 53.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.075 0.464 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.508 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 82.6 m-85 -126.18 166.56 16.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.569 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.483 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -132.2 146.28 51.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.504 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.723 HD12 HG21 ' A' ' 15' ' ' VAL . 14.5 mt -76.12 122.72 30.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.885 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.461 ' H ' HG23 ' A' ' 89' ' ' THR . . . -54.66 -29.4 48.87 Favored Glycine 0 C--N 1.333 0.361 0 C-N-CA 121.001 -0.619 . . . . 0.0 113.081 -178.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.3 p -61.6 -41.43 97.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.045 0.45 . . . . 0.0 109.975 179.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.787 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -71.07 -42.37 69.49 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.235 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.923 ' O ' HD12 ' A' ' 36' ' ' LEU . 23.8 t -62.1 -40.81 88.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.496 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.68 -50.73 59.48 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 24.3 p30 -65.43 -32.95 74.84 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.201 179.352 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.492 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -61.56 -42.89 99.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.781 179.571 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.923 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -93.43 -3.83 52.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.93 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 68.7 30.8 4.81 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.39 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.7 mmm -101.7 126.04 48.48 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.057 -0.349 . . . . 0.0 110.057 179.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -126.61 174.96 8.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.134 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 24.9 mtm180 56.9 43.33 25.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.866 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 60.57 19.18 53.71 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.462 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 42.9 t -60.11 -33.7 72.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.771 0.319 . . . . 0.0 110.909 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.636 HD11 HD13 ' A' ' 36' ' ' LEU . 1.8 tp -64.89 -51.63 60.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.9 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.428 ' CE2' ' HD2' ' A' ' 52' ' ' ARG . 27.8 m-85 -69.21 -36.65 77.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.977 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -34.1 77.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.311 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.5 ttt180 -92.05 -14.28 29.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.138 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.475 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 92.3 m-85 -134.99 59.91 37.25 Favored Pre-proline 0 CA--C 1.532 0.256 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.128 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.842 ' HG2' HG22 ' A' ' 110' ' ' VAL . 28.0 Cg_exo -62.44 -30.15 79.85 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.387 2.058 . . . . 0.0 112.423 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 7.9 t -72.14 -15.65 61.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.244 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.812 HD11 HD11 ' A' ' 99' ' ' ILE . 4.0 tp -67.36 135.84 53.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.881 0.372 . . . . 0.0 111.137 -179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 70.5 t90 -71.27 119.53 15.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.428 ' HD2' ' CE2' ' A' ' 44' ' ' TYR . 1.0 OUTLIER -139.67 138.69 36.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.735 179.492 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.629 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.16 160.13 41.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.846 0.355 . . . . 0.0 111.415 179.544 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.407 ' O ' ' HD2' ' A' ' 53' ' ' ARG . 0.3 OUTLIER -95.15 130.94 41.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.112 -179.718 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 1.063 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -83.52 145.63 28.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.568 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.61 HG23 ' OE1' ' A' ' 59' ' ' GLU . 13.9 p -72.15 171.63 11.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.241 179.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.475 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 23.7 t -59.63 -37.29 69.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.998 0.428 . . . . 0.0 110.653 179.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -70.21 -50.87 35.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.35 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.61 ' OE1' HG23 ' A' ' 56' ' ' THR . 10.1 mt-10 -60.17 -46.74 88.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.013 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.832 ' HA ' HD12 ' A' ' 63' ' ' ILE . 9.4 ptp180 -60.71 -41.89 96.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.466 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -42.06 84.8 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 178.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.07 -34.74 76.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.13 178.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 60' ' ' ARG . 68.6 mt -59.5 -42.5 88.12 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.118 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.6 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.952 HG22 HD21 ' A' ' 84' ' ' LEU . 43.9 t -59.77 -49.65 83.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.305 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.6 -44.95 61.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 112.099 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.6 m -73.73 -51.35 16.83 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.122 0.415 . . . . 0.0 112.122 -178.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.8 t -70.37 -46.06 64.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 111.533 -179.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.558 ' NE2' HG11 ' A' ' 15' ' ' VAL . 27.8 m80 -108.53 135.49 49.72 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.039 0.447 . . . . 0.0 111.424 -179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 166.95 -43.77 0.26 Allowed Glycine 0 N--CA 1.447 -0.578 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.659 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.429 ' N ' ' HD3' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -164.72 119.86 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.876 0.37 . . . . 0.0 111.017 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm -149.06 -46.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -70.91 176.44 4.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.979 -179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.497 ' H ' HG22 ' A' ' 72' ' ' THR . 10.5 pttm -65.68 147.91 98.45 Favored Pre-proline 0 C--N 1.33 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -76.17 59.33 5.92 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.508 2.139 . . . . 0.0 112.323 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -108.32 -41.07 4.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.873 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 38.0 p -99.2 161.17 13.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.814 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -121.0 120.61 35.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.1 159.24 17.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.822 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -119.98 -46.13 2.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -119.85 176.88 16.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.378 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -114.38 168.21 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.784 0.326 . . . . 0.0 110.909 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.91 144.25 31.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.734 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.605 ' C ' HD13 ' A' ' 84' ' ' LEU . 0.8 OUTLIER -99.0 121.73 41.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.008 -179.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.952 HD21 HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -163.72 39.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 179.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -94.41 36.71 1.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.213 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.1 m -112.06 -39.09 4.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.575 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 79.7 p -159.23 109.39 1.96 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.898 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.72 HG11 HD13 ' A' ' 63' ' ' ILE . 47.3 t -118.3 119.85 62.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.906 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 29' ' ' GLY . 3.1 t -95.04 115.31 27.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.545 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.063 HD11 ' HB2' ' A' ' 55' ' ' ALA . 1.0 OUTLIER -96.93 147.9 23.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.003 0.43 . . . . 0.0 111.424 -179.576 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.703 HD12 ' O ' ' A' ' 90' ' ' LEU . 6.4 mp -132.86 157.5 44.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.286 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.551 ' HG2' ' HB3' ' A' ' 51' ' ' TRP . 14.1 mmtm -71.29 122.09 19.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.842 0.353 . . . . 0.0 110.863 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -52.91 -38.34 61.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.973 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 20.9 t -65.05 -35.33 80.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.891 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.512 ' HG2' HD12 ' A' ' 50' ' ' LEU . 0.2 OUTLIER -67.46 -49.82 61.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.979 0.419 . . . . 0.0 110.498 -179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.698 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.1 t -64.32 -38.54 82.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.566 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.54 -45.97 90.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.738 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 2.4 mm-40 -62.47 -48.38 79.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.12 0.486 . . . . 0.0 110.632 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.812 HD11 HD11 ' A' ' 50' ' ' LEU . 3.5 mt -61.54 -39.34 82.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 11.7 mt -66.46 -35.56 80.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.952 178.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -77.81 -13.29 59.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.27 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.18 3.7 54.08 Favored Glycine 0 N--CA 1.451 -0.344 0 CA-C-N 115.692 -0.686 . . . . 0.0 112.623 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.479 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 42.7 t30 -104.36 111.05 23.53 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 177.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.503 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 14.3 p-10 -164.87 15.19 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.221 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.1 mp0 -54.02 -40.44 67.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.949 0.404 . . . . 0.0 111.068 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 15.7 ptmt -65.91 -30.25 70.81 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.663 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.458 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 21.2 m-85 -79.31 -39.03 33.85 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -75.88 -5.99 48.67 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.107 -179.835 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -98.87 4.79 47.55 Favored 'General case' 0 C--O 1.232 0.173 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.842 HG22 ' HG2' ' A' ' 48' ' ' PRO . 45.4 t 68.86 2.52 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.2 t 40.51 77.3 0.06 Allowed 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.8 0.333 . . . . 0.0 111.657 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 29.0 mt -109.32 -30.52 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.125 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.866 -179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 56.4 p -147.64 100.37 3.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.854 0.359 . . . . 0.0 110.841 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 56.0 mtt -108.56 119.82 40.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -94.11 109.87 21.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -88.34 121.37 30.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.45 128.04 30.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.48 150.1 49.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.991 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.21 172.63 12.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.79 -28.11 7.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.109 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.475 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.0 p -122.89 135.66 54.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.49 126.6 22.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.176 -179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.52 -170.41 28.29 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 119.687 -1.244 . . . . 0.0 112.877 178.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.5 pm0 -67.41 157.29 34.47 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HG3' ' HD2' ' A' ' 14' ' ' PRO . 3.4 tppp? -68.39 144.47 96.55 Favored Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -179.093 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.404 ' HD2' ' HG3' ' A' ' 13' ' ' LYS . 32.1 Cg_exo -59.73 159.32 24.95 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.47 2.114 . . . . 0.0 112.141 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.789 HG22 ' HG3' ' A' ' 31' ' ' GLU . 18.4 m -72.89 117.99 17.37 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-O 121.153 0.502 . . . . 0.0 111.611 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HB3' ' HG3' ' A' ' 27' ' ' MET . 0.1 OUTLIER -113.92 150.81 33.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.098 179.522 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -150.11 169.25 21.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.874 0.369 . . . . 0.0 111.167 -179.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.83 127.95 49.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.489 179.724 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.828 HD11 ' CD2' ' A' ' 90' ' ' LEU . 18.1 mt -106.05 -30.93 8.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.032 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -117.06 143.85 45.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 111.054 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.0 p30 -66.68 -12.16 57.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.709 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -81.17 -0.01 38.46 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 111.833 0.308 . . . . 0.0 111.833 -179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.11 24.93 8.64 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.398 -0.906 . . . . 0.0 113.107 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -81.92 116.87 21.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.726 0.298 . . . . 0.0 110.547 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.436 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.8 m-85 -112.53 130.96 55.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.966 0.412 . . . . 0.0 111.22 -179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.526 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 89.5 m-85 -123.67 166.52 15.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.724 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.505 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -131.52 148.88 52.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.606 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.756 HD12 HG21 ' A' ' 15' ' ' VAL . 19.8 mt -76.98 121.69 29.87 Favored 'Isoleucine or valine' 0 C--O 1.234 0.286 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.778 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.67 -29.41 48.96 Favored Glycine 0 C--N 1.331 0.291 0 C-N-CA 120.921 -0.657 . . . . 0.0 113.196 -178.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.436 ' H ' HG22 ' A' ' 28' ' ' ILE . 45.1 t -62.1 -41.28 98.05 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.075 0.464 . . . . 0.0 110.034 179.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.789 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.7 mm-40 -71.1 -41.86 70.06 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.173 179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.918 ' O ' HD12 ' A' ' 36' ' ' LEU . 14.6 t -62.68 -40.87 90.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.438 179.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.05 -50.74 60.85 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.299 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 23.5 p30 -65.15 -33.07 75.13 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.118 179.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.49 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.6 t80 -60.62 -43.01 97.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.889 179.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.918 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.1 -3.78 50.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.955 179.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 19.1 ttt180 68.56 31.18 4.86 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.427 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 1.1 mtt -102.14 126.16 49.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.12 179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -126.53 174.73 8.43 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.177 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 55.99 37.74 29.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.6 22.06 76.5 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.479 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.16 -34.05 75.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.329 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.683 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.7 tp -64.95 -52.2 57.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.85 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -68.02 -38.62 82.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.786 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 10.4 mttt -66.32 -30.62 71.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.982 0.42 . . . . 0.0 110.225 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 108' ' ' LYS . 4.7 tpm_? -91.93 -13.65 30.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.032 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.622 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 60.4 m-85 -134.14 63.82 63.22 Favored Pre-proline 0 CA--C 1.532 0.285 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.837 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.507 ' HB2' HG23 ' A' ' 110' ' ' VAL . 36.0 Cg_exo -60.45 -32.1 93.36 Favored 'Trans proline' 0 C--N 1.348 0.522 0 C-N-CA 122.777 2.318 . . . . 0.0 113.495 -179.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.17 8.23 18.98 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.79 HD11 HD11 ' A' ' 99' ' ' ILE . 5.2 tp -84.27 139.93 32.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.795 0.331 . . . . 0.0 111.234 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.608 ' CE3' ' HG2' ' A' ' 92' ' ' LYS . 69.1 t90 -70.33 116.11 10.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.621 179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -139.57 138.61 36.39 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.515 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.576 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.11 152.13 30.08 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.504 179.664 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.83 153.08 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.688 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.649 ' HB2' ' CD1' ' A' ' 90' ' ' LEU . . . -93.54 127.02 39.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.613 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' OE1' ' A' ' 59' ' ' GLU . 11.9 p -72.01 171.45 11.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.042 179.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.477 ' O ' ' HG2' ' A' ' 60' ' ' ARG . 34.6 t -58.4 -38.12 67.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.964 0.412 . . . . 0.0 110.545 179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.17 -45.41 66.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.137 179.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.542 ' OE1' HG23 ' A' ' 56' ' ' THR . 4.1 mt-10 -61.91 -46.48 89.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.844 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.811 ' HA ' HD12 ' A' ' 63' ' ' ILE . 3.2 ptt180 -60.78 -42.42 97.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.294 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 60' ' ' ARG . 1.6 mtpm? -57.77 -41.43 81.97 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.8 mttt -68.23 -34.87 77.02 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.639 178.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.811 HD12 ' HA ' ' A' ' 60' ' ' ARG . 14.0 mt -71.01 -26.31 27.29 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.118 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.211 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.678 HG23 ' O ' ' A' ' 60' ' ' ARG . 59.7 t -61.96 -50.57 79.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.986 0.422 . . . . 0.0 109.948 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.26 -42.28 62.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.225 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.464 ' O ' ' ND1' ' A' ' 68' ' ' HIS . 1.6 t -74.65 -13.13 60.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.696 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.583 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 0.4 OUTLIER -53.85 -11.92 0.48 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.416 0.524 . . . . 0.0 112.416 -178.611 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.583 ' HB2' ' O ' ' A' ' 67' ' ' SER . 72.9 m80 74.77 143.21 0.07 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.905 0.383 . . . . 0.0 111.094 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 173.79 39.33 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.97 -35.66 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.02 134.39 38.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 3.5 m 61.07 94.12 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.884 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.6 ttpm? -62.18 111.97 5.54 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -68.12 161.19 45.49 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.37 2.046 . . . . 0.0 112.278 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.74 93.16 4.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 54.7 p -136.56 157.15 47.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -92.74 -33.15 14.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -143.67 155.8 44.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.909 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -104.6 124.4 49.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -147.53 122.64 1.59 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.379 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.444 ' HB2' HD11 ' A' ' 84' ' ' LEU . 23.3 p90 -133.45 134.88 44.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.961 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.0 m -163.99 -43.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.047 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -35.33 80.08 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.627 ' C ' HD22 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -71.37 -6.9 43.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.674 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.465 ' N ' HD13 ' A' ' 84' ' ' LEU . . . -107.36 29.81 6.81 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.826 0.346 . . . . 0.0 111.153 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -112.02 -37.76 4.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 86.1 p -159.04 110.51 2.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.49 ' HB ' ' HB3' ' A' ' 55' ' ' ALA . 28.0 t -122.44 128.83 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 179.765 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 24.4 p -90.86 131.85 36.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.907 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.828 ' CD2' HD11 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -113.31 145.0 41.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.396 -179.703 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.577 HD12 ' C ' ' A' ' 90' ' ' LEU . 7.6 mp -134.86 152.73 51.99 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.586 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.608 ' HG2' ' CE3' ' A' ' 51' ' ' TRP . 3.8 mmmp? -76.21 122.4 24.3 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.938 0.399 . . . . 0.0 111.019 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.4 -34.28 23.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.361 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 m -62.53 -42.74 99.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.689 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.453 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 2.4 mm-40 -66.7 -49.34 66.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.647 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.527 ' HA ' HD12 ' A' ' 99' ' ' ILE . 16.8 t -61.81 -49.56 83.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.076 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -54.44 -44.06 72.16 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.786 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.484 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -61.24 -48.44 81.47 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 121.052 0.453 . . . . 0.0 111.016 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.79 HD11 HD11 ' A' ' 50' ' ' LEU . 4.9 mt -61.8 -39.4 83.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 21.7 mt -67.24 -33.54 75.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.872 178.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -77.78 -13.84 59.77 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.143 179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.57 3.91 52.78 Favored Glycine 0 N--CA 1.45 -0.368 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.626 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.484 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 0.9 OUTLIER -104.04 111.21 23.68 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 177.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.77 ' OD2' HG23 ' A' ' 99' ' ' ILE . 3.4 p30 -168.28 20.02 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.577 ' HA ' ' HE2' ' A' ' 108' ' ' LYS . 2.6 mt-10 -51.67 -47.81 63.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.355 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.66 -9.96 59.07 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.658 -179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.545 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.3 m-85 -85.84 -46.41 10.65 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -178.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.589 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 0.0 OUTLIER -82.25 -6.52 59.28 Favored 'General case' 0 N--CA 1.465 0.281 0 C-N-CA 120.198 -0.601 . . . . 0.0 111.151 179.856 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.45 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -103.08 18.54 21.47 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.667 -0.242 . . . . 0.0 111.522 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.607 ' O ' HG22 ' A' ' 110' ' ' VAL . 14.0 p 43.48 38.71 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.213 0 CA-C-O 120.891 0.377 . . . . 0.0 111.655 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.52 148.77 23.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.992 -179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 113' ' ' SER . 7.4 tp -172.65 -41.43 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.437 ' N ' HG23 ' A' ' 112' ' ' ILE . 2.5 m . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.02 -178.71 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 60.76 165.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.6 ptp -110.14 133.59 53.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 27.4 mtt -113.33 -35.41 5.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.94 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -133.68 129.99 37.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.446 HD12 ' N ' ' A' ' 6' ' ' LEU . 6.5 mp 60.06 160.56 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 p -139.89 150.05 44.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.816 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.6 mmmt -103.2 -34.68 8.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.972 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.571 ' HB ' ' CE1' ' A' ' 35' ' ' TYR . 1.5 p -153.04 172.67 16.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.412 ' CD1' ' C ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -138.14 126.34 22.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.732 179.709 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.15 -171.6 29.89 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 119.983 -1.104 . . . . 0.0 114.377 177.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.86 158.38 20.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 114.7 -0.75 . . . . 0.0 110.212 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.414 ' CD ' ' HD2' ' A' ' 14' ' ' PRO . 12.6 tppt? -67.67 134.52 92.5 Favored Pre-proline 0 C--N 1.332 -0.193 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -179.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.504 ' HD3' ' CD2' ' A' ' 35' ' ' TYR . 39.1 Cg_exo -60.94 156.17 45.58 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.493 2.129 . . . . 0.0 112.082 -179.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.899 HG22 ' HG3' ' A' ' 31' ' ' GLU . 18.6 m -72.86 117.25 16.18 Favored 'Isoleucine or valine' 0 C--O 1.241 0.656 0 CA-C-O 121.187 0.518 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.407 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -109.36 158.82 17.53 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.065 179.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.721 ' HE1' HD21 ' A' ' 90' ' ' LEU . 17.8 p90 -159.58 168.28 26.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.923 0.392 . . . . 0.0 110.987 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.478 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.3 OUTLIER -102.88 127.98 49.85 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.227 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.506 ' HA ' HD23 ' A' ' 19' ' ' LEU . 4.1 mt -109.03 -21.34 12.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.387 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -126.4 143.87 51.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.008 0.432 . . . . 0.0 111.115 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.29 -12.02 26.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.007 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.12 2.17 28.59 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.847 0.314 . . . . 0.0 111.847 -179.099 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 96.12 11.72 53.86 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 120.424 -0.893 . . . . 0.0 113.228 179.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 1.1 tt0 -70.11 116.56 10.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.044 0.449 . . . . 0.0 110.66 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.478 ' CE1' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -109.77 130.71 55.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.312 -179.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.702 ' HB3' HD23 ' A' ' 90' ' ' LEU . 82.4 m-85 -121.47 166.46 14.11 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.688 179.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.521 ' HE2' ' HB ' ' A' ' 96' ' ' VAL . 1.4 mtm -133.07 153.43 51.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.238 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.679 HG13 HG23 ' A' ' 15' ' ' VAL . 12.3 mt -80.4 122.36 35.46 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 CA-C-O 121.315 0.578 . . . . 0.0 111.258 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.68 -35.25 57.19 Favored Glycine 0 C--N 1.332 0.316 0 CA-C-N 115.596 -0.729 . . . . 0.0 113.019 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.4 m -58.44 -39.85 80.95 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.234 0.54 . . . . 0.0 109.812 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.899 ' HG3' HG22 ' A' ' 15' ' ' VAL . 4.0 mm-40 -66.99 -42.73 84.54 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.63 -0.713 . . . . 0.0 109.66 179.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.858 ' O ' HD12 ' A' ' 36' ' ' LEU . 29.9 t -62.43 -40.69 89.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.267 178.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.78 -50.7 64.68 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.029 179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.468 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 16.7 p30 -62.73 -32.62 73.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.094 0.473 . . . . 0.0 109.753 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.854 ' CE1' HD22 ' A' ' 100' ' ' LEU . 5.0 t80 -59.64 -42.58 93.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.301 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.858 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.1 mp -102.18 2.62 37.48 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.943 -0.303 . . . . 0.0 111.265 179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.7 ttt-85 68.43 28.45 6.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.396 179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.6 mtt -100.99 126.01 47.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.794 0.33 . . . . 0.0 110.185 179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -126.85 175.01 8.36 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 56.31 36.56 27.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.005 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.68 20.91 79.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.574 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.3 m -60.08 -33.86 72.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.5 tp -64.92 -51.83 59.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.558 ' HE2' HD11 ' A' ' 91' ' ' LEU . 27.7 m-85 -65.66 -35.59 81.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.01 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.83 -33.81 74.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.782 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 1.4 tpm_? -92.05 -11.65 35.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.301 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.587 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 64.3 m-85 -134.07 65.22 68.83 Favored Pre-proline 0 CA--C 1.531 0.226 0 CA-C-O 120.769 0.319 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -62.35 -27.26 77.53 Favored 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.78 2.32 . . . . 0.0 112.898 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.9 t -86.88 7.99 24.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.644 -179.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.587 ' HB2' ' HB3' ' A' ' 47' ' ' TYR . 7.2 tp -87.38 137.3 32.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.062 0.458 . . . . 0.0 111.438 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.513 ' CH2' ' CE2' ' A' ' 26' ' ' TYR . 73.0 t90 -69.83 115.89 9.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.543 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.31 138.59 36.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.847 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.44 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 16.1 ptt180 -154.11 156.81 37.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 111.368 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.14 130.84 36.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.277 179.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.923 ' HB2' HD12 ' A' ' 90' ' ' LEU . . . -79.94 143.14 34.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.492 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.505 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 4.8 p -71.86 167.69 19.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.319 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 66.0 t -53.46 -48.13 58.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.973 0.416 . . . . 0.0 110.444 179.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.52 -39.43 93.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.031 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.518 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 12.3 mt-10 -62.85 -42.46 99.76 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.827 179.698 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.797 ' HA ' HD12 ' A' ' 63' ' ' ILE . 7.9 mtm-85 -62.41 -41.92 99.04 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-O 120.794 0.331 . . . . 0.0 110.158 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -45.72 86.02 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 179.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -67.98 -34.89 77.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.904 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.797 HD12 ' HA ' ' A' ' 60' ' ' ARG . 24.2 mt -59.96 -46.26 94.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.674 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.982 HG22 HD23 ' A' ' 84' ' ' LEU . 21.9 t -58.41 -49.71 81.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.5 -179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.58 -45.04 61.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 112.061 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.59 -51.17 20.89 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.129 0.418 . . . . 0.0 112.129 -178.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 3.9 t -63.8 -56.09 18.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.646 0.26 . . . . 0.0 111.398 -179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.891 ' CD2' HG11 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -170.04 -91.16 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.18 -179.542 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.67 -75.77 1.95 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.575 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.99 118.38 23.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.01 142.88 46.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.563 ' O ' HG23 ' A' ' 72' ' ' THR . 10.2 t -107.33 65.26 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -157.26 130.2 4.43 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.829 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.81 100.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.382 2.054 . . . . 0.0 112.228 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -150.15 144.14 25.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.1 p 55.69 179.5 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.033 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.5 mmtp -110.72 -33.31 6.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -86.58 132.83 33.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.9 -35.1 26.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.85 139.52 45.03 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.516 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 33.6 p90 -81.17 136.78 35.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 10.0 t -160.45 31.91 0.16 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.836 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.573 ' C ' HD13 ' A' ' 84' ' ' LEU . 9.8 m -118.94 -3.07 10.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.345 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.982 HD23 HG22 ' A' ' 64' ' ' VAL . 0.0 OUTLIER -152.74 33.39 0.49 Allowed 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 120.883 0.373 . . . . 0.0 111.105 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -121.16 -16.83 7.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.419 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.4 m -102.15 -32.0 10.32 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.92 0.391 . . . . 0.0 110.723 179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 1.1 m -159.11 108.76 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.685 179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.71 HG11 HD13 ' A' ' 63' ' ' ILE . 36.9 t -117.62 128.5 74.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.276 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -90.93 119.54 31.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.591 179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.923 HD12 ' HB2' ' A' ' 55' ' ' ALA . 0.2 OUTLIER -98.81 144.41 28.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.304 -179.556 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.809 HD12 ' O ' ' A' ' 90' ' ' LEU . 5.2 mp -140.86 156.91 46.02 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.708 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.503 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 6.2 mmtt -75.06 121.51 22.12 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 121.015 0.436 . . . . 0.0 110.877 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.55 -52.85 27.07 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.716 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.52 -33.77 64.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.373 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.489 ' HB3' HD11 ' A' ' 50' ' ' LEU . 91.8 mt-10 -68.1 -49.29 62.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.785 0.326 . . . . 0.0 111.007 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.535 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.2 t -61.18 -49.92 82.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.024 0.44 . . . . 0.0 110.314 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -54.83 -39.2 68.31 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.954 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.575 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 8.1 mm-40 -64.09 -48.82 74.68 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.163 0.506 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.75 HG23 ' OD1' ' A' ' 104' ' ' ASP . 3.4 mt -62.96 -39.43 85.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.879 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.854 HD22 ' CE1' ' A' ' 35' ' ' TYR . 32.2 mt -67.47 -32.7 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.799 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -77.92 -14.57 59.5 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.21 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.67 4.05 52.39 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.627 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.575 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 10.2 t30 -103.95 111.56 24.15 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 177.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.75 ' OD1' HG23 ' A' ' 99' ' ' ILE . 3.6 p30 -169.22 19.62 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.281 -0.567 . . . . 0.0 112.374 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.58 ' HA ' ' HE2' ' A' ' 108' ' ' LYS . 43.3 mt-10 -51.72 -45.19 63.51 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.932 0.396 . . . . 0.0 111.283 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -74.83 -19.28 60.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.625 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.53 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 20.8 m-85 -76.17 -46.14 29.99 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -178.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.58 ' HE2' ' HA ' ' A' ' 105' ' ' GLU . 0.0 OUTLIER -85.65 -9.52 57.12 Favored 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 120.262 -0.575 . . . . 0.0 111.254 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -94.4 19.82 9.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.452 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.588 ' O ' HG22 ' A' ' 110' ' ' VAL . 13.4 p 43.11 37.02 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-O 120.908 0.385 . . . . 0.0 111.57 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -72.26 80.53 1.0 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 113' ' ' SER . 1.0 OUTLIER -123.32 -41.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.199 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.437 ' N ' HG23 ' A' ' 112' ' ' ILE . 13.0 m . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.256 -0.878 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.208 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.11 -39.48 3.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.795 0.331 . . . . 0.0 110.732 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -104.35 29.69 5.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.2 mtm 58.09 89.47 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.5 mtt -107.4 -31.83 8.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.11 133.96 30.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.153 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.0 mt -143.93 -46.88 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.971 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.33 140.93 13.17 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.855 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -109.6 -30.63 7.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.688 HG21 ' HA ' ' A' ' 100' ' ' LEU . 1.8 p -103.01 138.9 39.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.654 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.412 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -137.94 127.81 25.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.668 -179.51 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.0 -178.1 29.31 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 120.459 -0.877 . . . . 0.0 114.645 178.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.9 pm0 -69.52 158.76 34.59 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 114.606 -0.797 . . . . 0.0 111.957 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.448 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -67.84 142.9 96.03 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.935 -179.627 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 13' ' ' LYS . 25.9 Cg_exo -63.91 159.74 40.66 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.646 2.23 . . . . 0.0 112.285 -179.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.858 HG22 ' HG3' ' A' ' 31' ' ' GLU . 17.2 m -72.66 116.16 14.35 Favored 'Isoleucine or valine' 0 C--O 1.24 0.566 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.356 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 26' ' ' TYR . 0.1 OUTLIER -106.98 159.79 16.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.49 -179.62 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.456 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 22.4 p90 -159.83 167.07 29.03 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.998 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.1 OUTLIER -102.93 127.97 49.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.477 179.664 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.694 HD12 HD21 ' A' ' 90' ' ' LEU . 4.5 mt -108.71 -25.42 10.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.272 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.56 143.8 48.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.952 0.406 . . . . 0.0 111.14 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -66.55 -12.17 56.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.652 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -81.36 0.02 39.15 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -179.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.95 26.02 9.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.501 -0.856 . . . . 0.0 113.09 179.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -82.48 116.68 22.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.774 0.321 . . . . 0.0 110.649 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.455 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 7.3 m-85 -110.83 130.96 55.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.497 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 89.7 m-85 -123.1 166.51 15.04 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.716 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.436 ' HG3' ' HB3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -132.5 149.47 52.32 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.33 179.885 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.678 HD12 HG21 ' A' ' 15' ' ' VAL . 13.3 mt -77.91 123.87 35.37 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 CA-C-O 121.35 0.595 . . . . 0.0 111.368 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.79 -35.99 59.0 Favored Glycine 0 C--N 1.332 0.323 0 CA-C-N 115.558 -0.746 . . . . 0.0 112.981 -179.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.528 ' OG ' HG22 ' A' ' 28' ' ' ILE . 1.3 p -57.91 -39.06 77.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.105 0.478 . . . . 0.0 109.91 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.858 ' HG3' HG22 ' A' ' 15' ' ' VAL . 4.0 mm-40 -68.27 -45.03 74.24 Favored 'General case' 0 N--CA 1.454 -0.275 0 CA-C-N 115.822 -0.627 . . . . 0.0 109.896 179.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.64 ' O ' HD12 ' A' ' 36' ' ' LEU . 35.9 t -60.1 -40.57 83.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.029 178.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.59 -50.17 69.78 Favored Glycine 0 N--CA 1.448 -0.559 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.804 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.477 ' ND2' ' HA ' ' A' ' 31' ' ' GLU . 17.4 p30 -61.68 -32.94 73.15 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.173 179.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.643 ' CZ ' HD22 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -59.59 -43.94 93.51 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.633 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.794 HD13 ' CD1' ' A' ' 43' ' ' LEU . 2.2 mp -98.58 1.26 46.26 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.618 179.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.58 26.0 8.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.244 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.409 ' HE3' ' HA ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -100.9 126.19 47.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.872 0.367 . . . . 0.0 110.399 179.526 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -126.87 174.32 8.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.979 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.7 44.67 25.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.048 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.49 19.73 69.1 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.571 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 m -66.07 -34.01 77.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.821 0.343 . . . . 0.0 110.83 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.794 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.8 tp -64.97 -52.04 58.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.651 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.41 ' CE1' ' HG2' ' A' ' 52' ' ' ARG . 14.7 m-85 -63.43 -34.24 77.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.676 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mtmm -65.79 -39.05 90.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.525 179.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.7 ttt180 -83.34 -17.01 43.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.109 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 83.2 m-85 -134.05 64.24 65.33 Favored Pre-proline 0 CA--C 1.531 0.221 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.602 ' HG2' HG22 ' A' ' 110' ' ' VAL . 36.3 Cg_exo -62.25 -29.18 79.88 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.739 2.292 . . . . 0.0 113.097 -179.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.431 ' HB3' ' HA ' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -76.21 -10.49 59.45 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.757 0.313 . . . . 0.0 111.218 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.591 HD11 ' HB3' ' A' ' 95' ' ' GLU . 7.7 tp -70.0 135.36 49.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.361 -179.696 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.802 ' O ' HD13 ' A' ' 91' ' ' LEU . 80.7 t90 -69.77 117.82 11.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.897 179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HG2' ' CE1' ' A' ' 44' ' ' TYR . 0.5 OUTLIER -132.99 138.21 46.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.677 0.275 . . . . 0.0 110.554 179.374 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -154.47 143.61 21.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 111.392 179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.63 134.37 34.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.462 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.798 ' HB2' HD13 ' A' ' 90' ' ' LEU . . . -89.77 148.02 23.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.008 0.432 . . . . 0.0 111.635 -179.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.603 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 11.7 p -71.95 164.09 26.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.257 179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.449 ' HA ' ' HD2' ' A' ' 60' ' ' ARG . 21.6 t -53.29 -34.64 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.148 0.499 . . . . 0.0 110.632 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -70.18 -51.2 33.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.35 179.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.65 -41.5 86.19 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.541 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.883 ' HA ' HD12 ' A' ' 63' ' ' ILE . 7.9 mtt180 -61.62 -42.42 98.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.174 179.528 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -57.85 -43.46 85.92 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 19.9 mmmt -68.05 -34.66 76.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.176 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 60' ' ' ARG . 44.5 mt -59.57 -47.51 90.69 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.3 t -60.27 -48.82 86.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.622 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.26 -45.04 61.82 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -179.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.5 m -74.23 -51.22 16.04 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 111.936 0.347 . . . . 0.0 111.936 -179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.409 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 5.7 t -70.98 -49.49 44.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.816 0.341 . . . . 0.0 111.584 -179.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.582 ' NE2' HG11 ' A' ' 15' ' ' VAL . 26.1 m80 -105.13 151.78 23.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.046 0.451 . . . . 0.0 111.604 -179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 129.61 -43.0 1.35 Allowed Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.433 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.73 -34.9 5.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 0.0 110.845 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.73 155.96 19.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.992 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 35.6 m 60.11 109.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -149.12 76.07 9.55 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.22 91.17 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.495 2.13 . . . . 0.0 112.27 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 65.42 -77.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 34.9 p -136.69 175.11 9.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.41 -179.62 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -122.25 -42.79 2.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.851 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.1 m170 60.52 164.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 77.22 63.8 2.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.55 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.457 ' CE2' HG23 ' A' ' 82' ' ' THR . 31.7 p90 -152.66 -45.85 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 111.002 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.457 HG23 ' CE2' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -71.5 -35.71 70.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.855 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.494 ' O ' HG22 ' A' ' 86' ' ' THR . 0.8 OUTLIER -115.03 -13.03 11.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.385 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.416 ' O ' HG22 ' A' ' 88' ' ' VAL . 0.9 OUTLIER -85.01 8.36 18.06 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.647 -179.804 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -111.5 -23.58 10.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.705 0.288 . . . . 0.0 111.18 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.494 HG22 ' O ' ' A' ' 83' ' ' THR . 5.8 t -71.96 -33.22 68.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.872 0.368 . . . . 0.0 110.808 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 52.1 p -154.07 120.34 5.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.824 HG11 HD13 ' A' ' 63' ' ' ILE . 23.0 t -129.99 119.75 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.076 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 1.3 p -92.1 131.36 37.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.58 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 55' ' ' ALA . 0.3 OUTLIER -104.53 144.2 32.01 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.969 0.414 . . . . 0.0 111.494 -179.63 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.802 HD13 ' O ' ' A' ' 51' ' ' TRP . 4.5 mm? -135.95 152.67 51.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.133 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.532 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 8.9 mmmm -76.15 121.8 23.38 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.902 0.382 . . . . 0.0 110.662 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -48.87 -48.33 42.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.855 -179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.467 ' O ' ' HG2' ' A' ' 98' ' ' GLU . 1.5 p -56.5 -37.45 70.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.297 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.591 ' HB3' HD11 ' A' ' 50' ' ' LEU . 5.1 mt-10 -68.05 -49.43 61.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 111.034 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.765 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.8 t -61.15 -47.12 94.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.441 . . . . 0.0 110.47 179.562 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -54.94 -43.48 73.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.958 179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.646 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 37.2 mm-40 -61.54 -48.52 80.62 Favored 'General case' 0 C--O 1.237 0.447 0 CA-C-O 121.048 0.451 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.765 HD12 ' HA ' ' A' ' 96' ' ' VAL . 2.6 mt -61.9 -39.69 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.688 ' HA ' HG21 ' A' ' 9' ' ' THR . 19.6 mt -66.86 -33.38 75.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.007 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.57 -14.86 59.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.037 178.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.35 3.58 53.61 Favored Glycine 0 N--CA 1.451 -0.327 0 CA-C-N 115.565 -0.743 . . . . 0.0 112.631 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.646 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 5.5 t30 -104.44 111.53 24.22 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.504 ' O ' ' HG3' ' A' ' 108' ' ' LYS . 6.5 p-10 -165.81 15.55 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.093 -0.643 . . . . 0.0 112.724 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -54.61 -36.51 64.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.742 0.306 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.76 -29.61 65.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 179.783 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.473 ' CE1' ' HG2' ' A' ' 95' ' ' GLU . 22.8 m-85 -78.32 -29.58 47.75 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.19 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.1 OUTLIER -87.99 -5.72 58.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.058 -179.649 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -101.68 2.63 38.9 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.602 HG22 ' HG2' ' A' ' 48' ' ' PRO . 41.4 t 58.85 48.08 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.976 0.417 . . . . 0.0 111.107 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.14 95.2 3.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.555 HG22 ' O ' ' A' ' 112' ' ' ILE . 15.2 mt -102.69 48.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.096 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.1 t -86.33 125.63 33.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.35 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -113.78 100.42 8.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 8.2 ttm -70.18 173.2 6.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -176.02 125.69 0.21 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -126.62 97.07 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.087 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -133.54 32.23 3.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.41 -165.61 1.31 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -95.23 6.78 48.11 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.401 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.464 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.9 p -120.73 136.53 54.84 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.75 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.12 126.52 23.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.332 -179.791 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.57 -170.69 28.46 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 119.765 -1.207 . . . . 0.0 112.929 178.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -67.59 157.25 34.87 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -68.53 142.34 94.13 Favored Pre-proline 0 C--N 1.327 -0.412 0 N-CA-C 110.094 -0.336 . . . . 0.0 110.094 -179.186 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 32.7 Cg_exo -60.09 162.25 17.16 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.316 2.011 . . . . 0.0 111.825 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.9 HG13 ' OE1' ' A' ' 31' ' ' GLU . 19.8 m -74.64 121.67 26.49 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 CA-C-O 121.337 0.589 . . . . 0.0 112.168 -178.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' HB3' ' HG2' ' A' ' 27' ' ' MET . 0.1 OUTLIER -114.47 153.59 29.69 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.666 179.037 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.461 ' CZ ' HG12 ' A' ' 63' ' ' ILE . 20.3 p90 -153.48 169.19 23.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.979 0.419 . . . . 0.0 111.309 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.459 ' HG3' ' CE2' ' A' ' 25' ' ' PHE . 0.4 OUTLIER -102.95 128.54 49.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.457 179.649 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 19' ' ' LEU . 4.7 mt -108.59 -21.25 12.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.428 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 24' ' ' GLU . 8.2 mm-40 -128.22 143.99 51.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.983 0.42 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -64.87 -11.99 43.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.834 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.3 p30 -80.99 0.14 36.92 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 111.811 0.3 . . . . 0.0 111.811 -178.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.26 21.3 17.93 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.311 179.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 20' ' ' GLU . 2.3 mt-10 -79.81 116.87 20.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.774 0.321 . . . . 0.0 110.525 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.459 ' CE2' ' HG3' ' A' ' 18' ' ' GLN . 6.0 m-85 -110.86 130.57 55.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.01 0.433 . . . . 0.0 111.274 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.498 ' CE2' ' CH2' ' A' ' 51' ' ' TRP . 75.5 m-85 -121.16 166.8 13.43 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.509 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.467 ' HG2' ' HB3' ' A' ' 16' ' ' LYS . 5.1 mtm -132.69 151.14 52.05 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.448 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.927 HD13 HD11 ' A' ' 84' ' ' LEU . 12.1 mt -79.0 118.8 27.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.097 0.475 . . . . 0.0 111.038 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.74 -31.44 53.77 Favored Glycine 0 C--N 1.332 0.359 0 CA-C-N 115.825 -0.625 . . . . 0.0 113.058 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.9 m -60.94 -40.86 94.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.208 0.528 . . . . 0.0 109.904 179.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.9 ' OE1' HG13 ' A' ' 15' ' ' VAL . 2.6 mm-40 -70.49 -39.23 74.31 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.96 179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.926 ' O ' HD12 ' A' ' 36' ' ' LEU . 23.7 t -64.25 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.289 179.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.98 -50.77 60.75 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.247 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 23.7 p30 -64.33 -33.04 74.93 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.097 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.5 ' N ' ' OD1' ' A' ' 34' ' ' ASN . 4.8 t80 -61.4 -42.82 99.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.891 179.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.926 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.3 mp -94.2 -2.72 52.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.027 179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 68.57 30.56 5.09 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.484 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 2.1 mtt -100.98 126.09 47.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.202 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -126.63 175.07 8.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.138 -179.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 mtp180 57.42 37.8 28.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.46 22.83 68.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.52 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.6 t -61.62 -33.99 74.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.828 0.347 . . . . 0.0 110.843 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 tp -64.99 -52.14 57.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.757 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.457 ' HE2' HD11 ' A' ' 91' ' ' LEU . 23.0 m-85 -66.13 -38.91 89.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -68.0 -35.69 78.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.788 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 3.1 ttt85 -88.02 -13.53 41.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.339 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.528 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 82.2 m-85 -133.81 66.28 72.49 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.79 0.328 . . . . 0.0 111.016 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.431 ' HB2' HG23 ' A' ' 110' ' ' VAL . 24.3 Cg_exo -63.13 -30.27 75.08 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.758 2.305 . . . . 0.0 112.746 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.43 ' CB ' ' HA ' ' A' ' 110' ' ' VAL . 1.3 t -77.71 -3.92 43.61 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.594 0.235 . . . . 0.0 111.228 -179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.635 HD11 HD11 ' A' ' 99' ' ' ILE . 7.0 tp -77.54 139.8 39.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.933 0.397 . . . . 0.0 111.239 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.53 ' CD2' ' HG2' ' A' ' 92' ' ' LYS . 71.0 t90 -77.14 116.3 17.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.589 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 90' ' ' LEU . 4.8 ppt_? -139.25 139.01 37.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.497 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -151.78 166.16 32.24 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.938 0.399 . . . . 0.0 111.354 179.831 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -90.13 153.03 20.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.432 179.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.653 ' HB3' ' HB ' ' A' ' 88' ' ' VAL . . . -105.95 131.13 53.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.012 0.434 . . . . 0.0 111.8 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.2 p -72.11 171.53 11.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.244 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.589 ' O ' ' HG3' ' A' ' 60' ' ' ARG . 20.2 t -59.62 -34.22 54.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 121.101 0.476 . . . . 0.0 110.274 179.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -70.49 -47.3 61.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.051 178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -63.52 -45.05 92.39 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.234 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.969 ' CZ ' ' HB1' ' A' ' 85' ' ' ALA . 0.4 OUTLIER -62.17 -43.57 98.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.759 -179.757 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.489 ' HG2' ' N ' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -60.23 -41.19 92.6 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 179.1 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.489 ' N ' ' HG2' ' A' ' 61' ' ' LYS . 40.1 mttt -68.4 -34.78 76.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.023 178.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.843 HD12 ' HA ' ' A' ' 60' ' ' ARG . 24.9 mt -59.78 -51.25 75.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.147 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.6 t -59.7 -49.12 84.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.73 -179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.31 -45.06 61.63 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.356 0.502 . . . . 0.0 112.356 -179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 t -75.83 -51.27 12.94 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.119 0.414 . . . . 0.0 112.119 -178.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 t -73.18 -51.59 17.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.791 0.329 . . . . 0.0 111.462 -179.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.551 ' NE2' HG11 ' A' ' 15' ' ' VAL . 24.2 m170 -99.95 158.75 15.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.087 0.47 . . . . 0.0 111.516 -179.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 131.07 -40.1 1.69 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.6 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.95 -31.27 68.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.844 0.355 . . . . 0.0 110.9 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 pttp -110.43 115.34 29.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 20.6 m -122.49 130.24 52.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.956 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -127.93 93.61 39.06 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.873 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.51 119.67 6.69 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.477 2.118 . . . . 0.0 112.342 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 -159.08 -56.23 0.06 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.827 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -113.63 -36.28 4.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.822 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -145.17 134.9 23.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.24 -70.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.919 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -131.81 119.94 21.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 133.42 127.96 2.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.434 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -104.44 -40.43 6.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.916 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 82' ' ' THR . 89.4 m 52.73 50.79 17.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 4.3 m -163.92 -43.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.947 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.927 HD11 HD13 ' A' ' 28' ' ' ILE . 0.6 OUTLIER -91.24 45.83 1.27 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.952 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.969 ' HB1' ' CZ ' ' A' ' 60' ' ' ARG . . . -134.43 -34.54 0.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.641 -179.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -71.85 -34.46 69.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.813 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 41.3 p -159.01 108.23 1.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.923 179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.759 HG11 HD13 ' A' ' 63' ' ' ILE . 38.4 t -112.49 132.95 59.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.938 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 28' ' ' ILE . 0.8 OUTLIER -90.78 128.47 36.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.428 179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.741 ' O ' HD12 ' A' ' 91' ' ' LEU . 0.4 OUTLIER -106.54 144.67 32.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.873 0.368 . . . . 0.0 111.477 -179.505 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 90' ' ' LEU . 5.0 mp -139.42 156.31 47.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.572 179.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.53 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 7.1 mmtt -78.38 121.17 24.14 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 120.874 0.369 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.33 -42.84 53.44 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.657 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -39.05 89.63 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.012 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.457 ' HG3' ' HB2' ' A' ' 92' ' ' LYS . 6.8 mt-10 -68.66 -49.34 59.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.697 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.741 ' HA ' HD12 ' A' ' 99' ' ' ILE . 21.2 t -60.51 -47.59 92.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.134 0.493 . . . . 0.0 110.047 179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -55.45 -40.84 72.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.78 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.638 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.5 mm-40 -61.61 -48.75 79.51 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 121.197 0.522 . . . . 0.0 110.461 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 96' ' ' VAL . 3.0 mt -61.95 -39.22 82.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.797 179.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 21.6 mt -66.34 -33.96 76.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.055 178.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -77.8 -14.65 59.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.954 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.47 3.87 53.11 Favored Glycine 0 N--CA 1.45 -0.398 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.584 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.638 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 31.0 t30 -104.3 111.3 23.87 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 177.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.504 ' HA ' ' CD1' ' A' ' 107' ' ' TYR . 13.4 p-10 -166.11 16.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.531 0.567 . . . . 0.0 112.531 -179.166 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -55.12 -39.03 68.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.947 0.403 . . . . 0.0 111.045 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -70.17 -26.82 64.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.893 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.504 ' CD1' ' HA ' ' A' ' 104' ' ' ASP . 19.1 m-85 -81.4 -40.0 24.12 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.674 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.3 OUTLIER -70.1 -22.67 63.01 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.622 -179.226 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.429 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -109.09 29.73 7.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.138 0.421 . . . . 0.0 112.138 -179.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.646 ' O ' HG22 ' A' ' 110' ' ' VAL . 14.8 p 42.37 31.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.943 0.401 . . . . 0.0 111.462 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m -95.35 155.83 16.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 -179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 32.4 mt -140.82 -45.83 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.15 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 94.4 p . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.906 179.935 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.14 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 86.5 p -118.51 119.25 33.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.794 0.33 . . . . 0.0 110.893 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -74.65 114.21 12.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.996 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.3 mmt -96.04 -32.83 12.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.954 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -95.73 111.19 23.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -136.22 142.96 44.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mt -134.34 111.12 9.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 70.9 m -135.13 168.32 19.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -104.27 5.95 35.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.362 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.496 ' HB ' ' CZ ' ' A' ' 35' ' ' TYR . 2.8 p -132.9 137.53 46.68 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.731 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' O ' ' CD1' ' A' ' 35' ' ' TYR . 0.1 OUTLIER -138.31 126.36 22.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.335 -179.709 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.49 -170.75 28.64 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 119.852 -1.166 . . . . 0.0 112.968 178.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.1 pm0 -67.72 156.82 36.08 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 178.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 0.0 OUTLIER -68.77 142.02 93.26 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 -179.458 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' HB2' ' SD ' ' A' ' 27' ' ' MET . 29.7 Cg_exo -60.07 162.15 17.35 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.298 1.999 . . . . 0.0 111.771 -179.466 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.893 HG11 ' CD2' ' A' ' 68' ' ' HIS . 29.6 m -74.48 121.08 25.03 Favored 'Isoleucine or valine' 0 C--O 1.241 0.636 0 CA-C-O 121.234 0.54 . . . . 0.0 112.384 -178.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' HB3' ' CG ' ' A' ' 27' ' ' MET . 0.0 OUTLIER -114.84 147.95 39.17 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 114.956 -1.02 . . . . 0.0 109.704 179.141 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.7 ' CE2' HD23 ' A' ' 90' ' ' LEU . 19.2 p90 -147.68 169.06 20.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.975 0.416 . . . . 0.0 111.383 -179.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.453 ' HG3' ' CE1' ' A' ' 25' ' ' PHE . 0.2 OUTLIER -103.03 127.9 50.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.41 179.572 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' CD1' HD22 ' A' ' 90' ' ' LEU . 4.6 mt -109.04 -23.51 11.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.345 -179.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -121.55 143.75 49.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.938 0.399 . . . . 0.0 110.999 179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.14 -12.08 59.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.775 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.31 -3.64 53.19 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 103.03 26.05 7.22 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.442 -0.885 . . . . 0.0 113.0 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.49 116.8 22.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.544 179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.458 ' O ' ' HB2' ' A' ' 93' ' ' ALA . 6.8 m-85 -110.35 132.22 54.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.494 ' CE1' ' CH2' ' A' ' 51' ' ' TRP . 88.1 m-85 -123.9 166.7 15.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.464 179.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' MET . . . . . 0.505 ' CG ' ' HB3' ' A' ' 16' ' ' LYS . 6.3 mtm -134.15 146.91 50.65 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.655 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.693 HD12 HG21 ' A' ' 15' ' ' VAL . 14.6 mt -74.84 118.92 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.001 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -54.84 -27.45 44.07 Favored Glycine 0 C--N 1.332 0.319 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.012 -179.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.429 ' H ' HG22 ' A' ' 28' ' ' ILE . 33.8 t -64.16 -41.91 96.95 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.202 0.525 . . . . 0.0 109.754 179.183 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.796 ' HG3' HG22 ' A' ' 15' ' ' VAL . 2.6 mm-40 -69.79 -39.27 76.7 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.117 179.326 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.916 ' O ' HD12 ' A' ' 36' ' ' LEU . 19.9 t -66.0 -40.77 88.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.298 179.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.33 -50.75 63.53 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.107 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 35' ' ' TYR . 22.4 p30 -64.22 -33.05 74.91 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.043 179.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.496 ' CZ ' ' HB ' ' A' ' 9' ' ' THR . 4.5 t80 -60.27 -42.9 96.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.855 179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.916 HD12 ' O ' ' A' ' 32' ' ' VAL . 1.4 mp -94.28 -3.51 50.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.802 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 68.57 31.32 4.79 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.44 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 4.1 mtp -102.19 126.21 49.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.027 179.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -126.55 173.1 9.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.146 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 57.13 44.37 22.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.792 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 63.12 16.92 58.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.404 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.6 t -57.99 -33.8 69.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.829 0.347 . . . . 0.0 110.981 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.623 ' CD1' HD13 ' A' ' 36' ' ' LEU . 3.0 tp -64.87 -51.39 62.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.957 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -69.05 -39.01 79.43 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.022 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.16 -32.47 74.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.018 0.437 . . . . 0.0 110.445 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tpp180 -92.01 -16.52 26.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.11 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.469 ' HB3' ' HB2' ' A' ' 50' ' ' LEU . 65.3 m-85 -133.68 64.01 66.08 Favored Pre-proline 0 CA--C 1.53 0.203 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.041 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.444 ' HB2' HG23 ' A' ' 110' ' ' VAL . 27.5 Cg_exo -61.99 -31.97 84.2 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.661 2.24 . . . . 0.0 112.747 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.8 -9.76 59.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.847 HD11 HD11 ' A' ' 99' ' ' ILE . 2.9 tp -74.22 133.89 42.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.9 0.381 . . . . 0.0 111.152 -179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.594 ' CH2' ' HG2' ' A' ' 53' ' ' ARG . 63.2 t90 -71.86 120.6 17.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 17.2 ptt85 -139.58 138.35 36.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.596 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.594 ' HG2' ' CH2' ' A' ' 51' ' ' TRP . 0.0 OUTLIER -154.4 159.42 41.1 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.753 0.311 . . . . 0.0 111.356 179.701 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.56 130.88 38.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.867 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 1.08 ' HB2' HD11 ' A' ' 90' ' ' LEU . . . -76.44 142.68 40.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.617 -179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.451 ' N ' ' HB2' ' A' ' 59' ' ' GLU . 7.8 p -71.84 169.5 15.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.391 179.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 38.4 t -53.84 -49.66 57.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 111.065 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.39 -33.12 74.99 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.917 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.494 ' HB3' ' HB1' ' A' ' 55' ' ' ALA . 20.7 mt-10 -64.87 -43.57 92.54 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.291 179.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.766 ' HA ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -62.63 -41.82 99.24 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.025 179.406 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -57.72 -46.5 84.33 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -34.94 77.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.011 178.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.766 HD12 ' HA ' ' A' ' 60' ' ' ARG . 22.1 mt -59.62 -49.75 82.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.731 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 60' ' ' ARG . 24.6 t -58.58 -43.71 87.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.385 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.29 -45.07 61.65 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.3 m -78.93 -51.37 9.75 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 63' ' ' ILE . 8.0 t -59.78 -56.15 25.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.724 0.297 . . . . 0.0 111.323 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.893 ' CD2' HG11 ' A' ' 15' ' ' VAL . 0.0 OUTLIER -176.52 -92.66 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.224 -179.77 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 114.37 53.64 0.42 Allowed Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.452 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt 61.06 109.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.864 0.364 . . . . 0.0 110.905 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -78.33 109.15 12.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 21.3 p -140.66 153.94 46.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.415 ' CB ' ' CD ' ' A' ' 74' ' ' PRO . 0.1 OUTLIER -68.86 -61.13 3.79 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.002 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.415 ' CD ' ' CB ' ' A' ' 73' ' ' LYS . 53.7 Cg_endo -69.68 139.01 39.43 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.489 2.126 . . . . 0.0 112.291 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -148.05 89.37 1.73 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -112.91 -35.63 5.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.925 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.92 149.85 23.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.858 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -169.09 113.92 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.08 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -147.46 -83.29 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.812 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -138.01 2.37 2.95 Favored Glycine 0 CA--C 1.52 0.376 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.991 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 57.73 164.56 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.838 0.351 . . . . 0.0 111.094 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 9.3 t -124.01 30.67 6.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.3 m -159.14 158.91 33.75 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.678 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.0 tt 59.64 27.25 16.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.927 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -135.3 21.15 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.357 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.05 -33.29 6.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.87 108.66 2.43 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.629 HG11 HD13 ' A' ' 63' ' ' ILE . 39.6 t -121.31 119.79 60.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.987 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.48 114.2 26.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.455 179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 1.08 HD11 ' HB2' ' A' ' 55' ' ' ALA . 2.0 mp -96.88 148.83 22.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.006 0.432 . . . . 0.0 111.335 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.727 ' CD2' HD23 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -135.18 156.09 49.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.392 179.573 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.524 ' HG2' ' CD2' ' A' ' 51' ' ' TRP . 5.5 mmtp -70.99 122.04 19.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.925 0.393 . . . . 0.0 110.722 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 25' ' ' PHE . . . -52.58 -38.42 59.96 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.327 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.8 m -64.9 -35.9 82.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.069 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.481 ' HG3' ' CE1' ' A' ' 107' ' ' TYR . 0.2 OUTLIER -67.94 -49.52 61.28 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.067 0.461 . . . . 0.0 110.515 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.633 ' HA ' HD12 ' A' ' 99' ' ' ILE . 11.4 t -62.5 -47.61 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.31 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -54.83 -41.48 70.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.929 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.627 ' HB3' ' O ' ' A' ' 103' ' ' ASN . 5.8 mm-40 -63.08 -48.74 77.35 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.208 0.528 . . . . 0.0 110.499 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.847 HD11 HD11 ' A' ' 50' ' ' LEU . 4.1 mt -61.89 -39.21 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.671 179.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 96' ' ' VAL . 18.0 mt -66.06 -34.85 79.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.151 178.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -14.37 59.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.058 179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 101.46 3.89 53.12 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.427 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.627 ' O ' ' HB3' ' A' ' 98' ' ' GLU . 11.9 t30 -104.19 111.22 23.72 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.47 ' HA ' ' CD2' ' A' ' 107' ' ' TYR . 7.9 p-10 -166.54 16.65 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -56.49 -34.82 67.32 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.887 0.375 . . . . 0.0 110.97 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 ptpp? -74.2 -26.35 60.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.837 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.481 ' CE1' ' HG3' ' A' ' 95' ' ' GLU . 24.7 m-85 -80.82 -38.27 28.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.395 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 104' ' ' ASP . 0.0 OUTLIER -72.51 -11.67 60.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.242 -179.318 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.464 ' O ' HG12 ' A' ' 110' ' ' VAL . . . -116.13 23.88 11.84 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -179.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.627 ' O ' HG22 ' A' ' 110' ' ' VAL . 13.2 p 43.39 31.36 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.211 0 CA-C-O 120.946 0.403 . . . . 0.0 111.655 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 90.3 p -100.68 147.47 25.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.031 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.505 ' O ' HG23 ' A' ' 112' ' ' ILE . 1.0 OUTLIER -162.46 53.44 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.077 179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.875 -179.946 . . . . . . . . 0 0 . 1 stop_ save_